SCHEMBL9217030

SCHEMBL9217030

CCc1cc(O)c2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
TRPA1 O75762 1/20 0.38
RXRA P19793 8/20 0.36
RXRB P28702 3/20 0.36
RXRG P48443 3/20 0.36
HNF4A P41235 1/20 0.35
CYP26A1 O43174 3/20 0.34
CYP26B1 Q9NR63 2/20 0.34
RARB P10826 3/20 0.31
MEN1 O00255 1/20 0.31
TNNI3 P19429 1/20 0.31
TNNT2 P45379 1/20 0.31
TNNC1 P63316 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RARA P10276 2/20 0.31
RARG P13631 1/20 0.31
CNR2 P34972 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL6361423 0.81 TP53 (0.42) TP53CYP1A2RXRARXRBRXRG
SCHEMBL3692773 0.77 CYP1A2 (0.47) TP53CYP1A2RXRARXRBRXRG
SCHEMBL9215514 0.76 CYP1A2 (0.46) TP53CYP1A2TRPA1RXRARXRB
SCHEMBL3063968 0.74 CYP1A2 (0.44) TP53CYP1A2RXRARXRBRXRG
SCHEMBL12809929 0.74 CYP1A2 (0.44) TP53CYP1A2RXRARXRBRXRG
SCHEMBL3689458 0.71 CYP3A4 (0.44) TP53CYP1A2RXRARXRBRXRG
SCHEMBL6032644 0.70 TP53 (0.41) TP53CYP1A2RXRAHNF4ARARB
SCHEMBL1406907 0.70 HNF4A (0.43) TP53CYP1A2RXRARXRBRXRG
SCHEMBL1406593 0.70 TP53 (0.41) TP53CYP1A2RXRAHNF4ARARB
SCHEMBL3176733 0.69 RXRA (0.54) RXRARXRBRXRGCYP26A1CYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995000114-A1 TETRALINE® FORMATE ESTER AROMA CHEMICALS UNION CAMP CORPORATION (US) 1995-01-05 WO disclosed
US-5292719-A Perfumes, colognes, soaps and cosmetics; musk aroma UNION CAMP CORPORATION (US) 1994-03-08 US disclosed
US-4605778-A METHYLATION, FORMYLATION FRITZSCHE DODGE & OLCOTT INC. (US) 1986-08-12 US disclosed
EP-0098546-B1 NOVEL AROMATIC MUSKS FRITZSCHE DODGE & OLCOTT INC. (US) 1985-06-05 EP disclosed
US-4483786-A PERFUMES0 FRITZSCHE DODGE & OLCOTT INC. (US) 1984-11-20 US disclosed
US-4476040-A TETRAHYDRONAPMTHALENEALDEMYDE ALCOHOLS OR ETHERS FRITZSCHE, DODGE & OLCOTT, INC. (US) 1984-10-09 US disclosed
EP-0098546-A1 Novel aromatic musks FRITZSCHE DODGE & OLCOTT INC. (US) 1984-01-18 EP disclosed