SCHEMBL8860733

SCHEMBL8860733

COCO[C@@]1(C(=O)OC(=O)OCc2ccccc2)CCCN1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL11435272 0.90 DDB1 (0.41) DDB1CRBNALDH1A1GLA
SCHEMBL1150970 0.89 DDB1 (0.41) DDB1CRBNALDH1A1TSHR
SCHEMBL7338878 0.79 DDB1 (0.37) DDB1CRBN
SCHEMBL10785422 0.79 DDB1 (0.42) DDB1CRBNALDH1A1TSHR
SCHEMBL5635258 0.79 ALDH1A1 (0.42) DDB1CRBNALDH1A1
SCHEMBL376160 0.79 AKT1 (0.36) DDB1CRBN
SCHEMBL9076521 0.78 DDB1 (0.40) DDB1CRBNALDH1A1TSHR
SCHEMBL7342095 0.78 ALOX5 (0.39) DDB1CRBN
SCHEMBL71530 0.77 DDB1 (0.46) DDB1CRBNALDH1A1
SCHEMBL8907523 0.77 DDB1 (0.46) DDB1CRBNALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658926-A ANTICOAGULANTS, ANTIHISTAMINES, ANTIARRHYTHMIC, CARTIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
US-5506239-A Carbostyril derivative and platelets aggregation inhibitory agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed
EP-0569592-A1 CARBOSTYRIL DERIVATIVE AND PLATELET AGGLUTINATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-11-18 EP disclosed