SCHEMBL2497965

SCHEMBL2497965

CC(=O)OCc1ccc(-c2cc(C=O)nc(C=O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.42
CA2 P00918 1/20 0.41
ERN1 O75460 2/20 0.40
PRF1 P14222 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GPR84 Q9NQS5 2/20 0.36
IDH1 O75874 1/20 0.36
NOTUM Q6P988 1/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
ATR Q13535 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
NAAA Q02083 1/20 0.34
AR P10275 1/20 0.34
ENPP2 Q13822 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
SCHEMBL4198688 0.80 ALDH1A1 (0.69) ALDH1A1CYP3A4CA2PRF1NPC1
SCHEMBL11314892 0.76 ALDH1A1 (0.58) ALDH1A1CYP3A4CA2PRF1NPC1
SCHEMBL713413 0.76 ALDH1A1 (0.62) ALDH1A1CYP3A4NPC1RAB9A
SCHEMBL132773 0.75 ALDH1A1 (0.78) ALDH1A1CYP3A4CA2IDH1
SCHEMBL9687590 0.74 ALDH1A1 (0.60) ALDH1A1CYP3A4CA2NPC1RAB9A
SCHEMBL9686517 0.74 ALDH1A1 (0.60) ALDH1A1CYP3A4CA2NPC1RAB9A
SCHEMBL12518683 0.74 ALDH1A1 (0.60) ALDH1A1CYP3A4CA2ERN1PRF1
SCHEMBL487227 0.74 ALDH1A1 (0.78) ALDH1A1NPC1RAB9ANAAA
SCHEMBL3082528 0.74 ALDH1A1 (0.60) ALDH1A1CYP3A4CA2RAB9AIDH1
SCHEMBL10604973 0.73 ALDH1A1 (0.69) ALDH1A1CYP3A4CA2IDH1

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-1915399-B1 RECOVERABLE POLYMER-BOUND HOMOGENEOUS CATALYSTS FOR CATALYTIC CHAIN TRANSFER PROCESSES COATINGS FOREIGN IP CO LLC (US) 2013-11-20 EP disclosed
US-8030422-B2 Recoverable polymer-bound homogeneous catalysts for catalytic chain transfer process E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-04 US disclosed
US-20100261851-A1 Recoverable polymer-bound homogeneous catalysts for catalytic chain transfer process AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2010-10-14 US disclosed
EP-1915399-A1 RECOVERABLE POLYMER-BOUND HOMOGENEOUS CATALYSTS FOR CATALYTIC CHAIN TRANSFER PROCESSES E.I.Du pont de nemours and company (US) 2008-04-30 EP disclosed
WO-2007024634-A1 RECOVERABLE POLYMER-BOUND HOMOGENEOUS CATALYSTS FOR CATALYTIC CHAIN TRANSFER PROCESSES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-03-01 WO disclosed