SCHEMBL9217192

SCHEMBL9217192

COc1cc(C)cc2c1C(C)(C)CCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
RXRA P19793 5/20 0.37
RARA P10276 3/20 0.33
RARB P10826 3/20 0.33
RARG P13631 3/20 0.33
HNF4A P41235 1/20 0.33
ERN1 O75460 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
MALT1 Q9UDY8 1/20 0.32
EHMT2 Q96KQ7 3/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL27054971 0.80 RXRA (0.36) RXRARARARARBRARGERN1
SCHEMBL9077794 0.76 HNF4A (0.40) RXRARARARARBRARGHNF4A
SCHEMBL9722089 0.75 LMNA (0.50) RXRARARARARBRARGHNF4A
SCHEMBL9318445 0.75 RXRA (0.55) RXRARARARARBRARGHNF4A
SCHEMBL9116607 0.75 ACHE (0.36) ACHERARG
SCHEMBL27033598 0.74 RXRA (0.38) RXRARARARARBRARGHNF4A
SCHEMBL9318566 0.74 RXRA (0.44) RXRARARARARBRARGHNF4A
SCHEMBL15348324 0.73 RXRA (0.51) RXRARARARARBRARGHNF4A
SCHEMBL24701548 0.73 HNF4A (0.35) RXRARARARARBRARGHNF4A
SCHEMBL9215514 0.73 CYP1A2 (0.46) ACHERXRARARARARBRARG

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 11 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-5326900-A Aromatic keto compounds, the preparation thereof, and drugs and cosmetics containing these BASF AKTIENGESELLSCHAFT (DE) 1994-07-05 US disclosed
US-5292719-A Perfumes, colognes, soaps and cosmetics; musk aroma UNION CAMP CORPORATION (US) 1994-03-08 US disclosed
EP-0382078-B1 AROMATIC KETO COMPOUNDS, THEIR PREPARATION AND MEDICINAL AS WELL AS COSMETIC PREPARATIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1993-09-22 EP disclosed
US-5194664-A Aromatic keto compounds, the preparation thereof, and drugs and cosmetics containing these BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
EP-0382078-A1 Aromatic keto compounds, their preparation and medicinal as well as cosmetic preparations containing them BASF Aktiengesellschaft (DE) 1990-08-16 EP 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