SCHEMBL3834342

SCHEMBL3834342

[CH2]C(C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
MAOB P27338 2/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 2/20 0.39
NFE2L2 Q16236 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAOA P21397 1/20 0.39
TRPA1 O75762 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL7737180 1.00 CYP1A2 (0.53) CYP1A2MAOBMEN1KMT2AALDH1A1
SCHEMBL27906876 0.79 CYP1A2 (0.52) CYP1A2MAOBMEN1KMT2AALDH1A1
SCHEMBL1225973 0.79 CYP1A2 (0.52) CYP1A2MAOBMEN1KMT2AALDH1A1
SCHEMBL11878598 0.78 CYP1A2 (0.55) CYP1A2MAOBMEN1KMT2AALDH1A1
SCHEMBL3848021 0.78 CYP1A2 (0.55) CYP1A2MAOBMEN1KMT2AALDH1A1
SCHEMBL27929432 0.78 CYP1A2 (0.55) CYP1A2MAOBMEN1KMT2AALDH1A1
SCHEMBL5958250 0.76 CYP3A4 (0.48) CYP1A2MAOBMEN1KMT2AALDH1A1
SCHEMBL6197790 0.76 MAOB (0.46) CYP1A2MAOBMEN1KMT2ACYP3A4
SCHEMBL6531549 0.76 MAOB (0.46) CYP1A2MAOBMEN1KMT2AALDH1A1
SCHEMBL6197786 0.76 MAOB (0.46) CYP1A2MAOBMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102648238-B The multi-purpose polymer of hydrolysis-stable LUBRIZOL ADVANCED MATERIALS, INC. (US) 2016-05-11 CN disclosed
EP-1534286-B1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS INC (US) 2009-12-09 EP disclosed
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 EP disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed