SCHEMBL7340996

SCHEMBL7340996

CCOc1ccc(CC=CC=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
PARP10 Q53GL7 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
RELA Q04206 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAOB P27338 1/20 0.40
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40

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
SCHEMBL2559226 0.83 NQO1 (0.61) NQO1PARP10ALDH1A1TDP1TSHR
SCHEMBL28807469 0.81 ALDH1A1 (0.55) ALDH1A1TDP1TSHRSMN1; SMN2CA12
SCHEMBL7296943 0.80 CHRM2 (0.52) ALDH1A1TDP1TSHRSMN1; SMN2KDM4E
SCHEMBL9133260 0.79 NQO1 (0.56) NQO1PARP10TDP1TSHRSMN1; SMN2
SCHEMBL28743548 0.78 NQO1 (0.54) NQO1PARP10ALDH1A1TDP1TSHR
SCHEMBL6194308 0.78 NQO1 (0.54) NQO1ALDH1A1TDP1TSHRPOLB
SCHEMBL28743552 0.78 NQO1 (0.54) NQO1PARP10ALDH1A1TDP1TSHR
SCHEMBL9109802 0.76 ALDH1A1 (0.56) NQO1PARP10ALDH1A1TDP1POLB
SCHEMBL9109799 0.76 ALDH1A1 (0.56) NQO1PARP10ALDH1A1TDP1POLB
SCHEMBL9253733 0.75 NQO1 (0.61) NQO1PARP10ALDH1A1TDP1TSHR

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
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed
US-4514401-A CARDIOTONICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-04-30 US disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed