SCHEMBL1644087

SCHEMBL1644087

CC1CCC(C(=O)OCC2CO2)C(C(=O)OCC2CO2)C1C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.37
PPM1B O75688 2/20 0.33
PTPN1 P18031 2/20 0.33
PPP1CC P36873 1/20 0.33
MGLL Q99685 2/20 0.31

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
SCHEMBL27800908 0.94 TP53 (0.50) TP53CYP3A4ALDH1A1LMNAPPM1B
SCHEMBL7726456 0.85 TP53 (0.70) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL1644082 0.84 TP53 (0.58) TP53CYP3A4ALDH1A1LMNAPPM1B
SCHEMBL25778211 0.83 CYP3A4 (0.38) TP53CYP3A4ALDH1A1LMNA
SCHEMBL1644180 0.82 TP53 (0.65) TP53CYP3A4ALDH1A1MGLL
SCHEMBL686967 0.82 TP53 (0.66) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL31688117 0.80 TP53 (0.85) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL1196425 0.79 PPM1B (0.47) CYP3A4ALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL7019894 0.79 TP53 (0.77) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL1643280 0.79 TP53 (0.53) TP53CYP3A4ALDH1A1LMNAMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212355-A1 METHOD FOR PREPARING POLYHYDROXYURETHANE, POLYHYDROXYURETHANE PREPARED USING THE METHOD AND PRESSURE-SENSITIVE ADHESIVE COMPRISING THE POLYHYDROXYURETHANE KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-07-06 US disclosed
EP-2256163-B1 EPOXY RESIN COMPOSITION, FIBER-REINFORCED COMPOSITE MATERIAL AND METHOD FOR PRODUCING THE SAME TORAY INDUSTRIES (JP) 2018-11-14 EP disclosed
US-20160159993-A1 EPOXY RESIN COMPOSITION, FIBER-REINFORCED COMPOSITE MATERIAL, AND METHOD FOR PRODUCING THE SAME TORAY INDUSTRIES, INC. (JP) 2016-06-09 US disclosed
US-20110097568-A1 EPOXY RESIN COMPOSITION, FIBER-REINFORCED COMPOSITE MATERIAL, AND METHOD FOR PRODUCING THE SAME TORAY INDUSTRIES, INC 2011-04-28 US disclosed
EP-2256163-A1 EPOXY RESIN COMPOSITION, FIBER-REINFORCED COMPOSITE MATERIAL AND METHOD FOR PRODUCING THE SAME Toray Industries, Inc. (JP) 2010-12-01 EP disclosed