SCHEMBL7295380

SCHEMBL7295380

[CH2]CC(Cl)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ANPEP P15144 2/20 0.40
ERAP1 Q9NZ08 2/20 0.40
ERAP2 Q6P179 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
CYP2A6 P11509 1/20 0.39
HTR2A P28223 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
ACP3 P15309 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 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
SCHEMBL29187623 0.86 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6605635 0.80 TSHR (0.43) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL19050212 0.79 BLM (0.42) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6685679 0.78 TP53 (0.42) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL21582183 0.77 ALDH1A1 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11857706 0.77 TDP1 (0.54) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL9819003 0.77 HTR2A (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL4237177 0.77 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL29217275 0.76 PPARG (0.36) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL7993184 0.74 TDP1 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1

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
US-5306719-A Cardiotonic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0255134-B1 CARBOSTYRIL DERIVATIVES AND SALTS THEREOF, PROCESS FOR PREPARING THEM, AND CARDIOTONIC COMPOSITION CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
US-5071856-A CARBOSTYRIL DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-10 US disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 EP disclosed