SCHEMBL5748867

SCHEMBL5748867

CCCOc1ccc(O)c(CC=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ERN1 O75460 2/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
CA6 P23280 1/20 0.40

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
SCHEMBL12476088 0.85 LTA4H (0.50) LTA4HPTGS1PTGS2KMT2AMEN1
SCHEMBL3390271 0.84 GABRA1 (0.57) LTA4HGABRA1GABRB2PTGS1PTGS2
SCHEMBL7749412 0.81 CA12 (0.41) LTA4HPTGS1PTGS2ERN1KMT2A
SCHEMBL28646236 0.80 LTA4H (0.49) LTA4HPTGS1PTGS2KMT2AMEN1
SCHEMBL874158 0.80 ERN1 (0.56) ERN1KMT2AMEN1MAPTHSD17B10
SCHEMBL25329497 0.78 ESR1 (0.53) LTA4HKMT2AMEN1MAPTTSHR
SCHEMBL8416721 0.78 CNR2 (0.53) LTA4HGABRA1GABRB2KMT2AMEN1
SCHEMBL29158187 0.78 CNR2 (0.56) LTA4H
SCHEMBL29163509 0.78 CNR2 (0.56) LTA4H
SCHEMBL31166228 0.78 ERN1 (0.62) LTA4HPTGS1PTGS2ERN1KMT2A

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-1656373-A2 DERIVATIVES OF 2-ACYLAMINO-4-PHENYLTHIAZOLE, PREPARATION METHOD THEREOF AND USE OF SAME AS CHEMOKINEANTAGONISTS Sanofi-Aventis (FR) 2006-05-17 EP disclosed
WO-2004096798-A2 DERIVATIVES OF 2-ACYLAMINO-4-PHENYLTHIAZOLE, PREPARATION METHOD THEREOF AND USE OF SAME AS CHEMOKINE ANTAGONISTS SANOFI-AVENTIS (FR) 2004-11-11 WO disclosed