SCHEMBL8434370

SCHEMBL8434370

CC(C(=O)N(C(C)C)C(C)C)c1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.54
GRIA4 P48058 1/20 0.48
RXRA P19793 3/20 0.47
RXRB P28702 3/20 0.47
RXRG P48443 1/20 0.47
PTGS2 P35354 1/20 0.47
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43

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
SCHEMBL8433248 0.79 SRD5A2 (0.59) SRD5A2GRIA4RXRARXRBRXRG
SCHEMBL13185575 0.79 TP53 (0.46) SRD5A2RXRARXRBRXRGPTGS2
SCHEMBL8079980 0.79 TYR (0.47) GRIA4PTGS2
SCHEMBL14127824 0.78 KCNA5 (0.50) PTGS2
SCHEMBL2627825 0.76 RXRA (0.68) GRIA4RXRARXRBRXRGCA12
SCHEMBL9330598 0.74 RXRA (0.56) SRD5A2GRIA4RXRARXRBRXRG
SCHEMBL4488292 0.74 PTGS2 (0.61) SRD5A2PTGS2
SCHEMBL6688306 0.74 PTGS2 (0.61) SRD5A2PTGS2
SCHEMBL8833485 0.74 TSHR (0.55) SRD5A2RXRARXRBRXRGPTGS2
SCHEMBL31192242 0.73 TSHR (0.60) SRD5A2RXRARXRBRXRGCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965763-A Biphenyl compounds HOECHST MARION ROUSSEL (FR) 1999-10-12 US disclosed