SCHEMBL285026

SCHEMBL285026

C=C(SC(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA9 Q16790 2/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
CES1 P23141 5/20 0.46
CES2 O00748 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
AKT1 P31749 1/20 0.43
MAPT P10636 4/20 0.42

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
SCHEMBL658242 0.85 CES1 (0.41) CA2CA4CA12CA1CA9
SCHEMBL10653399 0.82 CES2 (0.46) CA2CA4CA12CA1CA9
SCHEMBL21697627 0.76 CES2 (0.39) CES1CES2ALDH1A1TSHRDAO
SCHEMBL775847 0.74 CES1 (0.41) CA2CA4CA12CA1CA9
SCHEMBL28770109 0.71 CES1 (0.46) CA2CA4CA12CA1CA9
SCHEMBL28241011 0.71 CES1 (0.46) CA2CA4CA12CA1CA9
SCHEMBL17030432 0.71 ELANE (0.36) CES1CES2ALDH1A1TSHRDAO
SCHEMBL22593583 0.70 MAOA (0.41) CA2CA4CA12CA1CA9
SCHEMBL7087951 0.70 KMT2A (0.45) CES1CES2ALDH1A1TSHRDAO
SCHEMBL775849 0.70 CA12 (0.40) CA2CA4CA12CA1CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428235-B1 Use of compounds hardened by means of polymerisation for producing biodegradable, biocompatible, networked polymers UNIV WIEN TECH (AT) 2014-06-04 EP disclosed
EP-2428235-A2 Use of compounds hardened by means of polymerisation for producing biodegradable, biocompatible, networked polymers Technische Universität Wien (AT) 2012-03-14 EP disclosed
EP-2219697-A2 COMPOSITION THAT CAN BE CURED BY POLYMERISATION FOR THE PRODUCTION OF BIODEGRADABLE, BIOCOMPATIBLE, CROSS-LINKABLE POLYMERS ON THE BASIS OF POLYVINYL ALCOHOL Technische Universität Wien (AT) 2010-08-25 EP disclosed
WO-2009065162-A2 COMPOSITION THAT CAN BE CURED BY POLYMERISATION FOR THE PRODUCTION OF BIODEGRADABLE, BIOCOMPATIBLE, CROSS-LINKABLE POLYMERS ON THE BASIS OF POLYVINYL ALCOHOL TECHNISCHE UNIVERSITÄT WIEN (AT) 2009-05-28 WO disclosed