SCHEMBL7235503

SCHEMBL7235503

C=CCCCCCCCCCOC(=O)COCC=C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 5/20 0.43
LPAR3 Q9UBY5 2/20 0.43
LMNA P02545 2/20 0.43
LPAR2 Q9HBW0 1/20 0.43
CYP3A4 P08684 3/20 0.41
TSHR P16473 3/20 0.41
MAPT P10636 3/20 0.40
ABCC4 O15439 1/20 0.40
HTT P42858 1/20 0.37
USP2 O75604 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
NAAA Q02083 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FAAH O00519 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7241147 1.00 TDP1 (0.45) TDP1ALDH1A1LPAR3LMNALPAR2
SCHEMBL7234811 0.88 ALDH1A1 (0.44) TDP1ALDH1A1LPAR3LMNALPAR2
SCHEMBL7230454 0.87 TDP1 (0.45) TDP1ALDH1A1LPAR3LMNALPAR2
SCHEMBL10583894 0.85 TSHR (0.56) TDP1TSHRNAAAFAAHHPGD
SCHEMBL7767124 0.81 TSHR (0.52) TDP1ALDH1A1TSHRNAAAL3MBTL1
SCHEMBL7256327 0.80 ALDH1A1 (0.53) TDP1ALDH1A1LPAR3LMNALPAR2
SCHEMBL32674552 0.80 ALDH1A1 (0.55) ALDH1A1LPAR3LMNALPAR2CYP3A4
SCHEMBL7702797 0.80 ALDH1A1 (0.55) ALDH1A1LPAR3LMNALPAR2CYP3A4
SCHEMBL22832872 0.80 ALDH1A1 (0.55) ALDH1A1LPAR3LMNALPAR2CYP3A4
SCHEMBL11322829 0.78 ALDH1A1 (0.63) TDP1ALDH1A1LPAR3LMNALPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6573391-B1 Use in functional perfumery and in fine perfumery; musk scent HAARMANN & REIMER GMBH (DE) 2003-06-03 US disclosed