SCHEMBL3358299

SCHEMBL3358299

CCC(C)CC(O)OC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MRGPRX4 Q96LA9 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ALDH1A1 P00352 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
MITF O75030 1/20 0.38
PAX8 Q06710 1/20 0.38
MEN1 O00255 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL29219408 0.89 SMN1; SMN2 (0.41) MAPTKMT2ASMN1; SMN2MRGPRX4NPC1
SCHEMBL9989638 0.87 KMT2A (0.46) MAPTKMT2ASMN1; SMN2MRGPRX4NPC1
Isophthalic Acid SCHEMBL3358306 0.82 KMT2A (0.44) MAPTKMT2AALDH1A1CA12CA1
SCHEMBL2185343 0.81 KMT2A (0.48) MAPTKMT2ASMN1; SMN2MRGPRX4NPC1
SCHEMBL3711959 0.81 KMT2A (0.46) MAPTKMT2ASMN1; SMN2MRGPRX4NPC1
SCHEMBL3088428 0.80 MAPT (0.43) MAPTKMT2ASMN1; SMN2NPC1RAB9A
Isophthalic Acid SCHEMBL1790335 0.80 KMT2A (0.50) MAPTKMT2AALDH1A1CA12CA1
SCHEMBL7181546 0.79 PRKCA (0.48) MAPTKMT2ASMN1; SMN2MRGPRX4NPC1
SCHEMBL7917046 0.79 SMN1; SMN2 (0.49) MAPTKMT2ASMN1; SMN2MRGPRX4NPC1
SCHEMBL6228773 0.78 KMT2A (0.44) MAPTKMT2ASMN1; SMN2MRGPRX4NPC1

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
US-20100087593-A1 RESIN COMPOSITION COMPRISING THERMOPLASTIC POLYURETHANE, AND HOT MELT ADHESIVE ASAHI GLASS COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-2154168-A1 RESIN COMPOSITION CONTAINING THERMOPLASTIC POLYURETHANE AND HOT-MELT ADHESIVE Asahi Glass Company, Limited (JP) 2010-02-17 EP disclosed