SCHEMBL8749985

SCHEMBL8749985

C=C(OCC)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 4/20 0.42
RXRA P19793 18/20 0.38
RXRG P48443 13/20 0.36
RXRB P28702 12/20 0.36
RARA P10276 4/20 0.36
RARB P10826 4/20 0.36
MEN1 O00255 1/20 0.36
CYP26A1 O43174 1/20 0.36
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36
PGR P06401 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL8750003 0.86 RARG (0.44) RARGRXRARXRGRXRBRARA
SCHEMBL8749992 0.83 RXRA (0.52) RARGRXRARXRGRXRBRARA
SCHEMBL12517010 0.80 RARG (0.43) RARGRXRARXRGRXRBRARA
SCHEMBL12517437 0.80 RARG (0.43) RARGRXRARXRGRXRBRARA
SCHEMBL27845308 0.78 RARG (0.49) RARGRXRARXRGRXRBRARA
SCHEMBL23633279 0.76 RARG (0.52) RARGRXRARXRGRXRBRARA
SCHEMBL14414059 0.76 RARG (0.58) RARGRXRARXRGRXRBRARA
SCHEMBL9299399 0.76 RARG (0.52) RARGRXRARXRGRXRBRARA
SCHEMBL110818 0.76 RARG (0.52) RARGRXRARXRGRXRBRARA
SCHEMBL10689218 0.76 RARG (0.52) RARGRXRARXRGRXRBRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0595197-B1 Enol ethers and odorant compositions containing them GIVAUDAN ROURE INT (CH) 1997-04-02 EP claimed
US-5332725-A Perfumes of alkyl substituted oxotetralin or oxoindanes GIVAUDAN-ROURE CORPORATION (US) 1994-07-26 US claimed
EP-0595197-A1 Enol ethers and odorant compositions containing them GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1994-05-04 EP claimed
EP-0595197-B1 Enol ethers and odorant compositions containing them GIVAUDAN ROURE INT (CH) 1997-04-02 EP disclosed
US-5332725-A Perfumes of alkyl substituted oxotetralin or oxoindanes GIVAUDAN-ROURE CORPORATION (US) 1994-07-26 US disclosed
EP-0595197-A1 Enol ethers and odorant compositions containing them GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1994-05-04 EP disclosed