SCHEMBL6017151

SCHEMBL6017151

CCCCC(CC)Cc1cc(C(=O)O)ccc1N(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HCAR3 P49019 3/20 0.42
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
CA2 P00918 3/20 0.38
RARB P10826 2/20 0.38
TP53 P04637 1/20 0.38
PLA2G2D Q9UNK4 1/20 0.37
PLA2G4B P0C869 1/20 0.37

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
SCHEMBL6690303 0.85 ALDH1A1 (0.50) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL9988562 0.81 TSHR (0.46) ALDH1A1TSHRMAPK1RARBTP53
SCHEMBL9452464 0.81 ALDH1A1 (0.53) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL20520150 0.80 RARB (0.43) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL9988564 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL10299488 0.78 HCAR3 (0.54) ALDH1A1HCAR3TSHRMAPK1RARB
SCHEMBL45364 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4LMNAHSD17B10TSHR
Aminobenzoic Acid SCHEMBL8537849 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL25432801 0.77 TSHR (0.54) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL2131653 0.77 ALDH1A1 (0.67) ALDH1A1CYP3A4LMNAHSD17B10TSHR

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
EP-1692160-A2 FGF-5 BINDING AND SUPPORTED PEPTIDES GENENCOR INTERNATIONAL, INC. (US) 2006-08-23 EP disclosed
WO-2005047314-A2 FGF-BETA BINDING AND SUPPORTED PEPTIDES GENENCOR INTERNATIONAL, INC. (US) 2005-05-26 WO disclosed