SCHEMBL8667280

SCHEMBL8667280

C=CC(C)CCC=C(C)COC(=O)/C=C\C(=O)OCC(C)=CCCC(C)C=C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.34
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
ATM Q13315 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
SCHEMBL158258 0.87 ALOX15 (0.42) TSHRALOX15USP2ALDH1A1CYP3A4
SCHEMBL10980197 0.87 ALOX15 (0.42) TSHRALOX15USP2ALDH1A1CYP3A4
SCHEMBL8528618 0.84 ALOX15 (0.34) TSHRALOX15
SCHEMBL8672011 0.84 ALOX15 (0.34) TSHRALOX15
SCHEMBL7893228 0.82 ALOX15 (0.33) TSHRALOX15
SCHEMBL7161103 0.82 ALOX15 (0.33) TSHRALOX15
SCHEMBL7893230 0.82 TRPA1 (0.34) TSHRALOX15ALDH1A1
SCHEMBL3374536 0.82 ALOX15 (0.33) TSHRALOX15
SCHEMBL8341380 0.81 ALOX15 (0.32) TSHRALOX15
Bromide SCHEMBL8341298 0.80 ALOX15 (0.31) ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5830835-A FABRIC SOFTENER, PERFUME ESTER MIXTURES PROCTER & GAMBLE COMPANY (US) 1998-11-03 US disclosed
US-5668102-A SOLID OR LIQUID COMPOSITION CONTAINING CATIONIC QUATERNARY AMMONIUM FABRIC SOFTENING COMPOUND, NONIONIC OR ANIONIC ESTER OF NON-ALLYLIC ALCOHOL PERFUME THE PROCTER & GAMBLE COMPANY (US) 1997-09-16 US disclosed