SCHEMBL2475477

SCHEMBL2475477

CN(C)C(=O)Sc1cccc(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.44
LTB4R Q15722 2/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
ALDH1A1 P00352 2/20 0.41
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
GLRA1 P23415 1/20 0.40
ALOX5 P09917 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
NR4A2 P43354 2/20 0.39
ABCC1 P33527 1/20 0.39
FOLH1 Q04609 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
SCHEMBL15716510 0.79 ALDH1A1 (0.58) PTGER1ALDH1A1CTSVCTSLLMNA
SCHEMBL2473768 0.79 LTB4R (0.50) LTB4RLTB4R2ALDH1A1CTSVCTSL
SCHEMBL18113230 0.77 CA12 (0.65) ALDH1A1CA12CA1CA2CA4
SCHEMBL21775799 0.77 PTGER1 (0.49) PTGER1LTB4RLTB4R2ALDH1A1CTSV
SCHEMBL8980650 0.75 MAOB (0.54) PTGER1ALDH1A1CTSVCTSLLMNA
SCHEMBL1396290 0.75 ALDH1A1 (0.57) PTGER1ALDH1A1CTSVCTSLHPGD
SCHEMBL128058 0.74 GLRA1 (0.57) PTGER1ALDH1A1CTSVCTSLMRGPRX4
SCHEMBL10742332 0.74 MRGPRX4 (0.43) ALDH1A1MRGPRX4LMNAHPGDFOLH1
SCHEMBL3424839 0.74 ALDH1A1 (0.55) PTGER1ALDH1A1LMNAHPGDNR4A2
Hydrochloric Acid SCHEMBL18037169 0.74 ALDH1A1 (0.55) PTGER1ALDH1A1CTSVCTSLHPGD

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-2370422-A1 THIOCHROMENE DERIVATIVES AS HIP HYDROXYLASE INHIBITORS Fibrogen, Inc. (US) 2011-10-05 EP disclosed
WO-2010056767-A1 THIOCHROMENE DERIVATIVES AS HIP HYDROXYLASE INHIBITORS FIBROGEN, INC. (US) 2010-05-20 WO disclosed