SCHEMBL9004459

SCHEMBL9004459

CCC(C)C=CCCCCCCCCCCCCCCC(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.53
EPHX2 P34913 1/20 0.52
ALOX5 P09917 2/20 0.45
ASAH2 Q9NR71 1/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.43
CETP P11597 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 1/20 0.42
PTGS1 P23219 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
OXER1 Q8TDS5 1/20 0.42

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
SCHEMBL9004458 1.00 ALDH1A1 (0.53) ALDH1A1LMNAEPHX2ALOX5ASAH2
SCHEMBL9387099 1.00 ALDH1A1 (0.53) ALDH1A1LMNAEPHX2ALOX5ASAH2
SCHEMBL9387096 1.00 ALDH1A1 (0.53) ALDH1A1LMNAEPHX2ALOX5ASAH2
SCHEMBL346257 0.89 EPHX2 (0.55) ALDH1A1LMNAEPHX2ALOX5ASAH2
SCHEMBL346258 0.89 EPHX2 (0.55) ALDH1A1LMNAEPHX2ALOX5ASAH2
SCHEMBL5050376 0.83 ALDH1A1 (0.55) ALDH1A1LMNAEPHX2ALOX5ASAH2
SCHEMBL5050377 0.83 ALDH1A1 (0.55) ALDH1A1LMNAEPHX2ALOX5ASAH2
SCHEMBL1894957 0.82 TSHR (0.50) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL24080350 0.80 ALDH1A1 (0.70) ALDH1A1LMNAEPHX2ALOX5TSHR
SCHEMBL15757660 0.80 ALDH1A1 (0.70) ALDH1A1LMNAEPHX2ALOX5TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483689-B1 Hair cosmetic composition KAO CORP (JP) 1996-10-02 EP disclosed
US-5476649-A Hair cosmetic composition KAO CORPORATION (JP) 1995-12-19 US disclosed
EP-0483689-A1 Hair cosmetic composition KAO CORPORATION (JP) 1992-05-06 EP disclosed