SCHEMBL6980284

SCHEMBL6980284

COC(OC)[C@]1(C)C=Cc2cc(C#N)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
ABCB1 P08183 14/20 0.37
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
XDH P47989 1/20 0.34
KDM4E B2RXH2 1/20 0.32
SNCA P37840 1/20 0.32

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
SCHEMBL9206139 1.00 CA12 (0.40) CA12CA9ABCB1PTGS1PTGS2
SCHEMBL21257372 0.80 PTGS1 (0.37) CA12CA9PTGS1PTGS2XDH
SCHEMBL6981088 0.79 NPSR1 (0.43) CA12CA9PTGS1PTGS2XDH
SCHEMBL30523681 0.78 CA12 (0.46) CA12CA9ABCB1PTGS1PTGS2
SCHEMBL506743 0.78 CA12 (0.46) CA12CA9ABCB1PTGS1PTGS2
SCHEMBL9736524 0.76 PTGS1 (0.46) CA12CA9ABCB1PTGS1PTGS2
SCHEMBL6980368 0.75 HTR2C (0.41) PTGS1PTGS2XDHKDM4E
SCHEMBL12748472 0.75 HTR2C (0.41) PTGS1PTGS2XDHKDM4E
SCHEMBL6980030 0.75 HTR2C (0.41) PTGS1PTGS2XDHKDM4E
SCHEMBL9205782 0.75 CA9 (0.44) CA12CA9PTGS1PTGS2XDH

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
EP-1228058-B1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-12-10 EP disclosed
EP-1228058-A4 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-02-12 EP disclosed
EP-1228058-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2002-08-07 EP disclosed
US-6323238-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2001-11-27 US disclosed
WO-2001029023-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-04-26 WO disclosed