Benzene

Benzene

SCHEMBL7689916

C=CCOC(=O)c1ccccc1C(=O)O.c1ccccc1

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.86
TSHR P16473 6/20 0.68
ALDH1A1 P00352 5/20 0.68
HSD17B10 Q99714 1/20 0.68
ALOX15 P16050 1/20 0.50
RHOA P61586 1/20 0.47
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.44
LIG1 P18858 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL87635 1.00 CYP3A4 (0.86) CYP3A4TSHRALDH1A1HSD17B10ALOX15
Phthalic Acid SCHEMBL710708 1.00 CYP3A4 (0.86) CYP3A4TSHRALDH1A1HSD17B10ALOX15
Phthalic Acid SCHEMBL23929049 1.00 CYP3A4 (0.86) CYP3A4TSHRALDH1A1HSD17B10ALOX15
Phthalic Acid SCHEMBL710707 1.00 CYP3A4 (0.86) CYP3A4TSHRALDH1A1HSD17B10ALOX15
Ammonia Solution, Strong SCHEMBL29144165 0.98 CYP3A4 (0.83) CYP3A4TSHRALDH1A1HSD17B10ALOX15
SCHEMBL28193530 0.98 CYP3A4 (0.83) CYP3A4TSHRALDH1A1HSD17B10ALOX15
Bicarbonate SCHEMBL20838539 0.98 CYP3A4 (0.83) CYP3A4TSHRALDH1A1HSD17B10ALOX15
Hydrochloric Acid SCHEMBL10627992 0.98 CYP3A4 (0.83) CYP3A4TSHRALDH1A1HSD17B10ALOX15
SCHEMBL8666516 0.95 CYP3A4 (0.77) CYP3A4TSHRALDH1A1HSD17B10ALOX15
Naphthalene SCHEMBL28123359 0.95 CYP3A4 (0.77) CYP3A4TSHRALDH1A1HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033222-B1 Phase change compositions and methods for selective deposition modeling 3D SYSTEMS INC (US) 2002-12-11 EP claimed
US-6406531-B1 FOR BUILDING THREE-DIMENSIONAL OBJECTS; WAXES HAVING DIFFERENT MELTING POINTS; PHASE CHANGE COMPOSITIONS 3D SYSTEMS, INC. 2002-06-18 US claimed
US-6132665-A FORMING A THREE DIMENSIONAL MULTILAYER OBJECT FOR CONSTRUCTION MATERIALS 3D SYSTEMS, INC. (US) 2000-10-17 US claimed
EP-1033222-A1 Phase change compositions and methods for selective deposition modeling 3D SYSTEMS, INC. (US) 2000-09-06 EP claimed
EP-1033222-B1 Phase change compositions and methods for selective deposition modeling 3D SYSTEMS INC (US) 2002-12-11 EP disclosed
US-6406531-B1 FOR BUILDING THREE-DIMENSIONAL OBJECTS; WAXES HAVING DIFFERENT MELTING POINTS; PHASE CHANGE COMPOSITIONS 3D SYSTEMS, INC. 2002-06-18 US disclosed
US-6132665-A FORMING A THREE DIMENSIONAL MULTILAYER OBJECT FOR CONSTRUCTION MATERIALS 3D SYSTEMS, INC. (US) 2000-10-17 US disclosed
EP-1033222-A1 Phase change compositions and methods for selective deposition modeling 3D SYSTEMS, INC. (US) 2000-09-06 EP disclosed