SCHEMBL3628515

SCHEMBL3628515

Cc1ccc2c(C)c(C(=O)O)c(C(=O)O)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.50
LDHB P07195 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
MAOB P27338 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CSNK2A1 P68400 1/20 0.46
ALB P02768 1/20 0.43
MPL P40238 1/20 0.43
DHODH Q02127 2/20 0.41

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
SCHEMBL931067 0.86 LDHA (0.50) LDHALDHBMEN1KMT2ACA12
SCHEMBL13057645 0.83 LDHA (0.54) LDHALDHBMEN1KMT2ACA12
SCHEMBL30832198 0.81 MEN1 (0.49) LDHALDHBMEN1KMT2ACA12
SCHEMBL25083027 0.81 MEN1 (0.49) LDHALDHBMEN1KMT2ACA12
SCHEMBL13057666 0.81 MEN1 (0.49) LDHALDHBMEN1KMT2ACA12
SCHEMBL5422717 0.81 KDM4E (0.58) LDHAMEN1KMT2AALDH1A1KDM4E
SCHEMBL18281167 0.79 MEN1 (0.53) LDHALDHBMEN1KMT2ACA12
SCHEMBL19202294 0.77 CSNK2A1 (0.52) LDHALDHBMEN1KMT2ACA12
SCHEMBL30623601 0.77 ALDH1A1 (0.47) LDHALDHBMEN1KMT2ACA12
SCHEMBL32665463 0.77 LDHA (0.48) LDHALDHBMEN1KMT2AALDH1A1

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-1565509-B1 CATALYTIC COMPOSITION OF ORGANOTIN COMPOUNDS CHEMTURA ORGANOMETALLICS GMBH (DE) 2010-03-10 EP disclosed
US-7297804-B2 Catalytic composition of organotin compounds CHEMTURA ORGANOMETALICS GMBH (DE) 2007-11-20 US disclosed
US-20060047101-A1 Catalytic composition of organotin compounds CHEMTURA ORGANOMETALLICS GMBH (DE) 2006-03-02 US disclosed
EP-1565509-A1 CATALYTIC COMPOSITION OF ORGANOTIN COMPOUNDS Crompton GmbH (DE) 2005-08-24 EP disclosed
WO-2004050742-A1 CATALYTIC COMPOSITION OF ORGANOTIN COMPOUNDS CROMPTON GMBH (DE) 2004-06-17 WO disclosed