SCHEMBL8613489

SCHEMBL8613489

CC1CC(OC2CC(C)CC(C)(C)C2)CC(C)(C)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CTDSP1 Q9GZU7 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
SCHEMBL4442210 0.85 LMNA (0.44) LMNAALDH1A1CYP3A4CYP2C9CYP1A2
SCHEMBL4660383 0.83 LMNA (0.42) LMNAALDH1A1CYP3A4CYP2C9CYP1A2
SCHEMBL18710400 0.83 LMNA (0.42) LMNAALDH1A1CYP3A4CYP2C9CYP1A2
SCHEMBL27313158 0.81 LMNA (0.45) LMNAALDH1A1CYP3A4CYP2C9CYP1A2
SCHEMBL9910013 0.79 LMNA (0.41) LMNAALDH1A1CYP3A4CYP2C9CYP1A2
SCHEMBL598990 0.78 ALDH1A1 (0.39) LMNAALDH1A1CYP3A4CYP2C9CYP1A2
SCHEMBL597801 0.78 ALDH1A1 (0.39) LMNAALDH1A1CYP3A4CYP2C9CYP1A2
SCHEMBL3783240 0.78 ALDH1A1 (0.39) LMNAALDH1A1CYP3A4CYP2C9CYP1A2
SCHEMBL3783239 0.78 ALDH1A1 (0.39) LMNAALDH1A1CYP3A4CYP2C9CYP1A2
SCHEMBL7075047 0.78 LMNA (0.40) LMNAALDH1A1CYP3A4CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1948447-A Detersive for hard surface KAO CORP (JP) 2007-04-18 CN claimed
CN-102497848-B Fragrance-containing compositions UNILEVER PLC 2014-07-02 CN disclosed
CN-103189076-A Deodorant composition for sulfides TAKASAGO PERFUMERY CO LTD 2013-07-03 CN disclosed
CN-1948447-A Detersive for hard surface KAO CORP (JP) 2007-04-18 CN disclosed
EP-0834551-A2 Fixing of fragrances containing detergent compositions to surfaces Henkel Kommanditgesellschaft auf Aktien (DE) 1998-04-08 EP disclosed