SCHEMBL11240401

SCHEMBL11240401

CCCCCCCCCCCCCCCCNc1ccc(CC(=O)NCC(O)CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
HPGD P15428 2/20 0.46
SPHK1 Q9NYA1 4/20 0.44
KCNH2 Q12809 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL11276601 0.88 HPGD (0.51) TRPV1HPGDSPHK1KCNH2
SCHEMBL11067061 0.82 L3MBTL1 (0.51) HPGDKCNH2ALDH1A1LMNA
SCHEMBL11237793 0.80 ALDH1A1 (0.61) TRPV1HPGDEPHX1ALDH1A1LMNA
SCHEMBL11233653 0.79 TRPV1 (0.56) TRPV1HPGDTLR7
SCHEMBL11245563 0.78 EGFR (0.54) ALDH1A1LMNA
SCHEMBL11245566 0.78 EGFR (0.54) ALDH1A1LMNA
SCHEMBL28309209 0.77 NLRP3 (0.49) HPGDALDH1A1
SCHEMBL22664689 0.76 ALDH1A1 (0.59) HPGDALDH1A1LMNA
SCHEMBL11227278 0.76 ALDH1A1 (0.60) HPGDEPHX1ALDH1A1
SCHEMBL11235833 0.76 ALDH1A1 (0.60) HPGDEPHX1ALDH1A1

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-4348399-A Antiatherosclerotic and hypolipidemic 4-(monoalkylamino)phenyl alkane, alkene and alkyne carbinols, aldehydes, carboxylic acids and derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-07 US disclosed