SCHEMBL16760031

SCHEMBL16760031

CC(COC(=O)c1ccc(C(=O)O)cc1)OCC(O)CO

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.56
▸ ADRB2 P07550 16/20 0.46
▸ ADRB1 P08588 16/20 0.46
▸ ADRB3 P13945 16/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ PRKCA P17252 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
SCHEMBL2788016 0.86 MAPT (0.58) MAPTADRB2ADRB1ADRB3ALDH1A1
Benzoic Acid SCHEMBL7688676 0.80 ALDH1A1 (0.64) MAPTADRB2ADRB1ADRB3ALDH1A1
Benzoic Acid SCHEMBL136510 0.80 ALDH1A1 (0.64) MAPTADRB2ADRB1ADRB3ALDH1A1
Benzoic Acid SCHEMBL28388934 0.80 ALDH1A1 (0.64) MAPTADRB2ADRB1ADRB3ALDH1A1
Benzoic Acid SCHEMBL9956241 0.80 ALDH1A1 (0.64) MAPTADRB2ADRB1ADRB3ALDH1A1
SCHEMBL208053 0.80 MAPT (0.72) MAPTADRB2ADRB1ADRB3ALDH1A1
SCHEMBL4983780 0.79 ADRB2 (0.55) MAPTADRB2ADRB1ADRB3ALDH1A1
SCHEMBL8063408 0.79 MAPT (0.76) MAPTADRB2ADRB1ADRB3ALDH1A1
SCHEMBL66014 0.79 MAPT (0.66) MAPTADRB2ADRB1ADRB3ALDH1A1
SCHEMBL27668355 0.78 MAPT (0.70) MAPTADRB2ADRB1ADRB3ALDH1A1

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-3074448-B1 COATING COMPOSITION PPG IND OHIO INC (US) 2019-10-16 — — EP disclosed
US-20170022387-A1 Coating Composition PPG IND OHIO INC (US) 2017-01-26 — — US disclosed
EP-3074448-A1 COATING COMPOSITION PPG Industries Ohio, Inc. (US) 2016-10-05 — — EP disclosed
WO-2015078966-A1 COATING COMPOSITION PPG INDUSTRIES OHIO, INC. (US) 2015-06-04 — — WO disclosed
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