SCHEMBL11259846

SCHEMBL11259846

CC(C)CNC(=O)C=Cc1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.62
CYP1A2 P05177 4/20 0.62
CYP2C19 P33261 3/20 0.62
ALDH1A1 P00352 2/20 0.61
NPSR1 Q6W5P4 1/20 0.60
CYP2C9 P11712 2/20 0.56
TRPV1 Q8NER1 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
KLF5 Q13887 2/20 0.51
MAOB P27338 3/20 0.50

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
SCHEMBL11259843 1.00 HPGD (0.62) HPGDCYP1A2CYP2C19ALDH1A1NPSR1
SCHEMBL11259847 1.00 HPGD (0.62) HPGDCYP1A2CYP2C19ALDH1A1NPSR1
SCHEMBL30913220 0.84 SLC6A19 (0.69) HPGDCYP1A2CYP2C19ALDH1A1NPSR1
SCHEMBL29282139 0.84 SLC6A19 (0.69) HPGDCYP1A2CYP2C19ALDH1A1NPSR1
SCHEMBL11257542 0.83 SLC6A19 (0.72) HPGDALDH1A1NPSR1TRPV1SMN1; SMN2
SCHEMBL11257541 0.83 SLC6A19 (0.72) HPGDALDH1A1NPSR1TRPV1SMN1; SMN2
SCHEMBL11257545 0.83 SLC6A19 (0.72) HPGDALDH1A1NPSR1TRPV1SMN1; SMN2
N-Isobutylcinnamamide SCHEMBL11965211 0.82 KMT2A (0.63) HPGDCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL16610377 0.80 MEN1 (0.61) HPGDNPSR1TRPV1SMN1; SMN2LMNA
SCHEMBL15606032 0.80 HPGD (0.64) HPGDCYP1A2CYP2C19ALDH1A1NPSR1

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
US-4309444-A ANTICONVULSANT CINNAMAMIDES BURROUGHS WELLCOME CO. (US) 1982-01-05 US claimed
WO-2014073994-A2 NEW ALKANOLAMIDE DERIVATIVES OF CINNAMIC ACID AND USE OF ALKANOLAMIDE DERIVATIVES OF CINNAMIC ACID FOR PREPARATION OF DRUGS UNIWERSYTET JAGIELLONSKI (PL) 2014-05-15 WO disclosed
US-4309444-A ANTICONVULSANT CINNAMAMIDES BURROUGHS WELLCOME CO. (US) 1982-01-05 US disclosed