SCHEMBL9875690

SCHEMBL9875690

CCCCc1ccc(Cc2ccc3cc(C(C)C)cccc2-3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 2/20 0.40
HSD11B1 P28845 2/20 0.36
HTR2A P28223 1/20 0.36
BRS3 P32247 2/20 0.35
RARB P10826 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
APLNR P35414 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL9875623 0.86 UCHL3 (0.43) UCHL3HSD11B1HTR2ABRS3RARB
SCHEMBL9875245 0.86 CTSS (0.39) UCHL3CTSSCTSKTP53TSHR
SCHEMBL9875548 0.83 RXRA (0.37) NPC1TP53TSHRRAB9ASMN1; SMN2
SCHEMBL9875538 0.83 RXRA (0.42) TP53RXRARXRBRXRG
SCHEMBL9876111 0.82 HTR2A (0.44) UCHL3HSD11B1HTR2ARARBTP53
SCHEMBL9876249 0.81 HTR2A (0.47) HSD11B1HTR2ARARBTP53TSHR
SCHEMBL9876443 0.81 HTR2A (0.47) HSD11B1HTR2ARARBTP53TSHR
SCHEMBL9875860 0.81 MEN1 (0.40) CTSSCTSKTP53TSHRRXRA
SCHEMBL9874563 0.81 MEN1 (0.40) CTSSCTSKTP53TSHRRXRA
SCHEMBL9876048 0.81 MEN1 (0.40) CTSSCTSKTP53TSHRRXRA

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