SCHEMBL7885338

SCHEMBL7885338

C=CC(O)(O)OC(=O)/C=C/C(=O)OC(O)(O)C=C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL9620593 1.00 KEAP1 (0.33) KEAP1NFE2L2HCAR2ALDH1A1TP53
SCHEMBL7885340 0.91 HCAR2 (0.43) HCAR2ALDH1A1TP53
SCHEMBL9620594 0.91 HCAR2 (0.43) HCAR2ALDH1A1TP53
SCHEMBL4543577 0.84 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL7784207 0.78
SCHEMBL7784206 0.78 ALDH1A1 (0.30) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1199933 0.74
SCHEMBL867503 0.72 HCAR2 (0.38) KEAP1NFE2L2HCAR2ALDH1A1TP53
SCHEMBL9856237 0.72 KEAP1 (0.32) KEAP1NFE2L2HCAR2ALDH1A1TP53
SCHEMBL7595856 0.72 KEAP1 (0.32) KEAP1NFE2L2HCAR2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329020-B1 SATURATED BASE COATING WITH CARBOXY GROUP, UREA DISPERSION OF POLYURETHANE AND DRYING COATING HERBERTS GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-12-11 US disclosed
CN-1043655-C Binder formulation for producing pigment pastes and aqueous coating media containing said pigment pastes HERBERTS GMBH (DE) 1999-06-16 CN disclosed
US-5415750-A Acrylate copolymer, polyester, polyalkyl vinyl ether HERBERTS AG (DE) 1995-05-16 US disclosed
US-5395659-A Cationic polymers, clear coats, automobiles HERBERTS GMBH (DE) 1995-03-07 US disclosed
US-5219957-A Neutralization with a base HERBERTS GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-15 US disclosed
CN-1054787-A Make paints slurry adhesive formula and contain the aqueous coating media of this pigment slurry HERBERTS GMBH (DE) 1991-09-25 CN disclosed