SCHEMBL6675432

SCHEMBL6675432

C=C(C)C(=O)OCC(CC)CCCC.C=C(C)C(=O)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
CYP3A4 P08684 5/20 0.54
TDP1 Q9NUW8 3/20 0.54
ATM Q13315 1/20 0.54
ALDH1A1 P00352 5/20 0.48
CA2 P00918 1/20 0.48
RECQL P46063 1/20 0.46
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
THRB P10828 1/20 0.44
HSD17B10 Q99714 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL8962376 0.94 TSHR (0.69) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL9115198 0.94 TSHR (0.69) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL890675 0.94 TSHR (0.69) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL10585558 0.94 TSHR (0.69) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL1275661 0.94 TSHR (0.69) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL15347798 0.94 TSHR (0.55) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL1269088 0.94 TSHR (0.61) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL16772 0.94 TSHR (0.61) TSHRCYP3A4TDP1ATMALDH1A1
Charcoal, Activated SCHEMBL11214727 0.92 TSHR (0.59) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL31757145 0.92 TSHR (0.59) TSHRCYP3A4TDP1ATMALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0849728-B1 Optical recording medium MITSUI CHEMICALS INC (JP) 2004-09-29 EP disclosed
US-6001444-A Optical recording medium MITSUI CHEMICALS, INC. (JP) 1999-12-14 US disclosed
EP-0849728-A2 Optical recording medium Mitsui Chemicals, Inc. (JP) 1998-06-24 EP disclosed
EP-0311860-B1 Nonwoven fabric made of heat bondable fibers UNITIKA LTD (JP) 1996-07-03 EP disclosed
US-5277974-A Core copolymer having at least 30 degree higher melting point than sheath UNITAKA LTD. (JP) 1994-01-11 US disclosed
EP-0311860-A2 Nonwoven fabric made of heat bondable fibers UNITIKA LTD. (JP) 1989-04-19 EP disclosed