SCHEMBL8366289

SCHEMBL8366289

CCCCc1cc(C(C)=O)c2c(c1)C(C)(C)CC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.41
RXRG P48443 5/20 0.37
RXRB P28702 4/20 0.37
GPR84 Q9NQS5 2/20 0.36
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KAT8 Q9H7Z6 2/20 0.34
CYP26A1 O43174 1/20 0.34
CYP26B1 Q9NR63 1/20 0.34
CNR2 P34972 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 1/20 0.33
CYP3A4 P08684 1/20 0.33
PTGS2 P35354 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
SCHEMBL27474120 0.74 PTGS2 (0.40) RXRAGPR84ALDH1A1HSD17B10CYP3A4
SCHEMBL11678424 0.74 OPRM1 (0.44) CNR2
SCHEMBL6910130 0.72 RXRA (0.62) RXRARXRGRXRB
SCHEMBL29588728 0.71 RXRA (0.40) RXRARXRGRXRBCNR2
SCHEMBL112943 0.71 RXRA (0.63) RXRARXRGRXRBNPC1RAB9A
SCHEMBL29374183 0.71 RXRA (0.63) RXRARXRGRXRBNPC1RAB9A
SCHEMBL10718402 0.70 RXRA (0.38) RXRARXRGRXRBCYP26A1CYP26B1
SCHEMBL9770704 0.70 SKP2 (0.45) RXRAHPGDNPC1MAPK1HTT
SCHEMBL29392112 0.68 ALDH1A1 (0.40) RXRAHPGDNPC1MAPK1RAB9A
SCHEMBL2226128 0.68 ALDH1A1 (0.40) RXRAHPGDNPC1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950087-A1 COMPOSITIONS CONTAINING PERFUME QUEST INTERNATIONAL B.V. (NL) 1999-10-20 EP disclosed
WO-1998028396-A1 COMPOSITIONS CONTAINING PERFUME QUEST INTERNATIONAL B.V. (NL) 1998-07-02 WO disclosed
US-5120709-A Applying a solution of one or more fixative agents separately NEUROSCENTS, INC. (US) 1992-06-09 US disclosed