SCHEMBL3654282

SCHEMBL3654282

N/N=C\Nc1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.53
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 6/20 0.51
MAPT P10636 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 1/20 0.51
FABP4 P15090 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.49
FABP3 P05413 1/20 0.49
FABP5 Q01469 1/20 0.49
DHODH Q02127 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX15 P16050 1/20 0.45
TRPM2 O94759 1/20 0.44
LTB4R Q15722 1/20 0.44

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
SCHEMBL3654283 1.00 PKM (0.53) PKMALDH1A1KDM4EMAPTKMT2A
SCHEMBL1305714 0.79 ALDH1A1 (0.49) PKMALDH1A1KDM4EMAPTKMT2A
SCHEMBL1305718 0.79 ALDH1A1 (0.49) PKMALDH1A1KDM4EMAPTKMT2A
SCHEMBL29413047 0.77 ALDH1A1 (0.57) PKMALDH1A1KDM4EMAPTKMT2A
SCHEMBL501876 0.77 ALDH1A1 (0.57) PKMALDH1A1KDM4EMAPTKMT2A
SCHEMBL11656158 0.76 ALDH1A1 (0.56) PKMALDH1A1KDM4EMAPTKMT2A
SCHEMBL4206945 0.76 ALDH1A1 (0.56) PKMALDH1A1KDM4EMAPTKMT2A
SCHEMBL143766 0.74 ALDH1A1 (0.59) PKMALDH1A1KDM4EMAPTKMT2A
Bromide SCHEMBL20984528 0.72 FABP4 (0.57) PKMALDH1A1KDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL1522753 0.72 FABP4 (0.57) PKMALDH1A1KDM4EMAPTKMT2A

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-2217216-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS Scolr Pharma, Inc. (US) 2010-08-18 EP disclosed
WO-2009061805-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SCOLR PHARMA, INC. (US) 2009-05-14 WO disclosed