SCHEMBL9656296

SCHEMBL9656296

CCc1ccc(-c2cccc(C(C)CC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
BCL2 P10415 1/20 0.41
UCHL1 P09936 1/20 0.39
PFKFB3 Q16875 1/20 0.39
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TAOK1 Q7L7X3 2/20 0.37
TAOK3 Q9H2K8 2/20 0.37
EDNRB P24530 1/20 0.37

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
SCHEMBL198138 0.87 HDAC4 (0.56) PTGS2HDAC4HDAC2HDAC8RXRA
SCHEMBL25909341 0.86 RXRA (0.56) PTGS2HDAC4HDAC2HDAC8RXRA
SCHEMBL18092986 0.85 HDAC4 (0.51) PTGS2HDAC4HDAC2HDAC8RXRA
SCHEMBL8729744 0.85 HDAC4 (0.51) PTGS2HDAC4HDAC2HDAC8RXRA
SCHEMBL17809807 0.83 PTPN5 (0.51) PTGS2RXRARXRBRXRGBCL2
SCHEMBL19027079 0.81 TSHR (0.47) PTGS2UCHL1ALDH1A1USP2GAA
SCHEMBL24015316 0.80 HDAC4 (0.53) PTGS2HDAC4HDAC2HDAC8BCL2
SCHEMBL8419562 0.79 CYP17A1 (0.50) HDAC4HDAC2HDAC8RXRARXRB
SCHEMBL11326904 0.79 BCL2 (0.53) PTGS2BCL2EDNRBEDNRA
SCHEMBL17973756 0.79 HDAC4 (0.43) PTGS2HDAC4HDAC2HDAC8RXRA

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
EP-0475926-A2 Oxidation of dialkyl polyaromatics to dicarboxypolyaromatics MONSANTO COMPANY (US) 1992-03-18 EP disclosed