SCHEMBL9875623

SCHEMBL9875623

CCCCc1ccc(-c2ccc3cc(C(C)C)cccc2-3)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 2/20 0.43
BRS3 P32247 2/20 0.40
RARB P10826 3/20 0.39
HSD11B1 P28845 1/20 0.39
HTR2A P28223 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
GPR3 P46089 1/20 0.38
PSMB5 P28074 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 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
SCHEMBL9876111 0.96 HTR2A (0.44) UCHL3RARBHSD11B1HTR2AGPR3
SCHEMBL9876443 0.94 HTR2A (0.47) RARBHSD11B1HTR2AGPR3
SCHEMBL9876249 0.94 HTR2A (0.47) RARBHSD11B1HTR2AGPR3
SCHEMBL9875690 0.86 UCHL3 (0.40) UCHL3BRS3RARBHSD11B1HTR2A
SCHEMBL9875245 0.82 CTSS (0.39) UCHL3CTSSCTSKRXRARXRB
SCHEMBL9875329 0.81 PTGES (0.46)
SCHEMBL30684865 0.79 HSD11B1 (0.56) BRS3RARBHSD11B1HTR2APSMB5
SCHEMBL28829436 0.79 HSD11B1 (0.56) BRS3RARBHSD11B1HTR2APSMB5
SCHEMBL9875584 0.78 HTR2A (0.50) UCHL3RARBHTR2A
SCHEMBL9825519 0.78 CTSS (0.38) UCHL3HTR2ACTSSCTSKGPR3

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-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed