SCHEMBL2968704

SCHEMBL2968704

COC(=O)c1ccc2scc(CO)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
MTNR1A P48039 9/20 0.46
MTNR1B P49286 5/20 0.46
GPR84 Q9NQS5 1/20 0.44
NPC1 O15118 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL2943344 0.89 EGFR (0.46) CYP2A6MTNR1AMTNR1BCA12CA1
SCHEMBL13201395 0.80 CYP2A6 (0.49) CYP2A6NPC1CA12CA1CA2
SCHEMBL2259954 0.80 NOTUM (0.49) NPC1CA12CA1CA2CA7
SCHEMBL8139083 0.79 KDM4E (0.53) NPC1CA12CA1CA2CA7
SCHEMBL19435976 0.77 NPC1 (0.41) MTNR1AMTNR1BNPC1CA12CA1
SCHEMBL2960090 0.77 CYP2A6 (0.53) CYP2A6NPC1CA12CA1CA2
SCHEMBL2815532 0.76 CA1 (0.50) NPC1CA12CA1CA2CA7
SCHEMBL12366080 0.76 CYP46A1 (0.47) NPC1CA12CA1CA2CA7
SCHEMBL12365931 0.76 MAPT (0.52) NPC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL10854214 0.75 HDAC1 (0.45) MTNR1AMTNR1BGPR84NPC1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101402562-B Novel benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD 2013-07-31 CN disclosed
EP-1445249-B1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-07 EP disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
CN-101054345-B Novel bensophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD 2010-06-02 CN disclosed
CN-1602291-B Novel benzophenone derivative or salt thereof TOYAMA CHEMICAL CO LTD 2010-05-12 CN disclosed
CN-101402562-A Novel benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2009-04-08 CN disclosed
CN-101054345-A Novel bensophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2007-10-17 CN disclosed
CN-1602291-A Novel benzophenone derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-03-30 CN disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 EP disclosed