SCHEMBL7316308

SCHEMBL7316308

Nc1ccc2c(c1)CC(CC(=O)O)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.55
ITGA2B P08514 8/20 0.55
DGAT1 O75907 1/20 0.49
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRIN2B Q13224 1/20 0.43
MCHR1 Q99705 1/20 0.39
CYP19A1 P11511 1/20 0.39
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
NR1H2 P55055 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36

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
SCHEMBL7796017 0.94 DGAT1 (0.55) ITGB3ITGA2BDGAT1ALDH1A1POLB
SCHEMBL6673906 0.87 ITGB3 (0.41) ITGB3ITGA2BDGAT1ALDH1A1BRD4
SCHEMBL17551972 0.83 DGAT1 (0.67) ITGB3ITGA2BDGAT1ALDH1A1POLB
Hydrochloric Acid SCHEMBL7314452 0.82 ITGB3 (0.42) ITGB3ITGA2BDGAT1GRIN2BMCHR1
SCHEMBL7300384 0.81 ITGB3 (0.39) ITGB3ITGA2BALDH1A1MAPTMCHR1
Hydrochloric Acid SCHEMBL7302230 0.80 ITGB3 (0.39) ITGB3ITGA2BMCHR1NR1H2
SCHEMBL7304447 0.79 DGAT1 (0.58) ITGB3ITGA2BDGAT1ALDH1A1POLB
SCHEMBL30612421 0.79 DGAT1 (0.58) ITGB3ITGA2BDGAT1ALDH1A1POLB
SCHEMBL7292707 0.79 DGAT1 (0.58) ITGB3ITGA2BDGAT1ALDH1A1POLB
SCHEMBL3406500 0.79 DGAT1 (0.58) ITGB3ITGA2BDGAT1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9059234-A None JP disclosed
EP-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
US-5719145-A FIBRINOGEN ANTAGONIST FOR TREATMENT OF THROMBOSIS, RESTENOSIS AFTER ANGIOPLASTY OR CORONARY RECANALIZATION; WATER SOLUBILITY, ORAL ADMINISTRATION MITSUI TOATSU CHEMICALS, INC. (JP) 1998-02-17 US disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed
JP-H0959234-A AMINO-SUBSTITUTED DICYCLIC COMPOUND AND ITS PRODUCTION MITSUI TOATSU CHEM INC 1997-03-04 JP disclosed