SCHEMBL1936444

SCHEMBL1936444

CC(C)(C)C(Cc1ccc(CO)cc1)OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
EPHX1 P07099 2/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
EPHX2 P34913 1/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
LDHA P00338 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL1937035 0.87 EPHX2 (0.37) EPHX1EPHX2LDHAADRB2ADRB1
SCHEMBL4072985 0.86 MME (0.43) PPARGPPARAEPHX1
SCHEMBL28652308 0.85 SRR (0.45) PPARGPPARAEPHX1
SCHEMBL1935049 0.83 EPHX2 (0.39) EPHX1EPHX2ADRB2ADRB1ADRB3
SCHEMBL28474974 0.82 CA2 (0.47) EPHX2CA12CA1CA2CA4
SCHEMBL28703866 0.78 KMT2A (0.38) CA1CA2CA7CA14
SCHEMBL28617150 0.75 GAA (0.46)
SCHEMBL476130 0.75 PPARD (0.42) PPARA
SCHEMBL28356022 0.74 SRR (0.44) EPHX1
SCHEMBL9305616 0.74 SRR (0.47) EPHX1

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
CN-119569588-A Preparation method and intermediate of ilast hydrochloride 杭州诺澳生物医药科技有限公司 2025-03-07 CN disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed