Benzene

Benzene

SCHEMBL1131609

CCCCC(CC)COC(=O)c1ccccc1.O=C(Oc1ccccc1)c1ccccc1.c1ccccc1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
CYP3A4 P08684 3/20 0.65
CA2 P00918 1/20 0.65
LMNA P02545 4/20 0.62
HSD17B10 Q99714 1/20 0.62
PRSS1 P07477 1/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59
TSHR P16473 3/20 0.58
MAPK1 P28482 2/20 0.58
TDP1 Q9NUW8 3/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 5/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL79515 0.92 ALDH1A1 (0.76) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL30825765 0.92 ALDH1A1 (0.76) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL27543081 0.89 ALDH1A1 (0.72) ALDH1A1CYP3A4CA2LMNAHSD17B10
Benzoic Acid SCHEMBL15789975 0.88 ALDH1A1 (0.70) ALDH1A1CYP3A4CA2LMNAHSD17B10
Benzoic Acid SCHEMBL28570741 0.88 ALDH1A1 (0.70) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL30437742 0.88 PRSS1 (0.74) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL2825213 0.88 PRSS1 (0.56) ALDH1A1CYP3A4CA2LMNAHSD17B10
Bis(2-Ethylhexyl) Phthalate SCHEMBL8372974 0.87 ALDH1A1 (0.82) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL15286366 0.87 ALDH1A1 (0.68) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL3320267 0.87 PRSS1 (0.77) ALDH1A1CYP3A4CA2LMNAHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107802379-A Diamond compact, joint prosthesis and the prosthetic joint component of joint prosthesis 中科钢研节能科技有限公司 2018-03-16 CN disclosed
CN-102892386-B Use of Ti and Nb bonded TiC in artificial joint DIAMICRON INC 2015-03-25 CN disclosed
US-8603181-B2 Use of Ti and Nb cemented in TiC in prosthetic joints Dimicron, Inc (US) 2013-12-10 US disclosed
EP-1253870-B1 COMPONENT FOR A PROSTHETIC JOINT HAVING A DIAMOND LOAD BEARING AND ARTICULATION SURFACE DIMICRON INC (US) 2013-03-13 EP disclosed
EP-2555711-A2 USE OF TI AND NB CEMENTED TIC IN PROSTHETIC JOINTS Dimicron, Inc. (US) 2013-02-13 EP disclosed
CN-102892386-A Use of Ti and Nb bonded TiC in artificial joint DIAMICRON INC 2013-01-23 CN disclosed
CN-1871442-B Roller bearing assembly DIAMICRON, INC. (US) 2012-02-08 CN disclosed
WO-2011127321-A2 USE OF TI AND NB CEMENTED TIC IN PROSTHETIC JOINTS DIAMICRON, INC. (US) 2011-10-13 WO disclosed
US-8016889-B2 Articulating diamond-surfaced spinal implants Diamicron, Inc (US) 2011-09-13 US disclosed
EP-1552173-B1 Bearings, races and components thereof having diamond and other superhard surfaces DIAMICRON INC (US) 2011-02-16 EP disclosed
US-6410877-B1 Methods for shaping and finishing prosthetic joint components including polycrystalline diamond compacts DIAMICRON, INC. 2002-06-25 US disclosed
US-6402787-B1 Prosthetic hip joint having at least one sintered polycrystalline diamond compact articulation surface and substrate surface topographical features in said polycrystalline diamond compact DIAMICRON LENDERS, LLC 2002-06-11 US disclosed
US-6398815-B1 Prosthetic joint having at least one superhard articulation surface DIAMICRON, INC. 2002-06-04 US disclosed
US-6290726-B1 Prosthetic hip joint having sintered polycrystalline diamond compact articulation surfaces DIAMICRON, INC. 2001-09-18 US disclosed
WO-2001055476-A1 METHODS FOR MANUFACTURING A DIAMOND PROSTHETIC JOINT COMPONENT DIAMICRON, INC. (US) 2001-08-02 WO disclosed
WO-2001054627-A1 SPINE PROSTHESIS HAVING AT LEAST ONE DIAMOND ARTICULATION SURFACE DIAMICRON, INC. (US) 2001-08-02 WO disclosed
WO-2001054613-A2 COMPONENT FOR A PROSTHETIC JOINT HAVING A DIAMOND LOAD BEARING AND ARTICULATION SURFACE DIAMICRON, INC. (US) 2001-08-02 WO disclosed
WO-2001054561-A2 PROSTHETIC KNEE JOINT DIAMICRON, INC. (US) 2001-08-02 WO disclosed
WO-2001054628-A1 A DIAMOND ARTICULATION SURFACE FOR USE IN A PROSTHETIC JOINT DIAMICRON, INC. (US) 2001-08-02 WO disclosed
WO-2001054612-A2 PROSTHETIC HIP JOINT HAVING AT LEAST ONE SINTERED POLYCRYSTALLINE DIAMOND COMPACT ARTICULATION SURFACE DIAMICRON, INC. (US) 2001-08-02 WO disclosed