SCHEMBL3932075

SCHEMBL3932075

CCC(O)n1ccnc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
AGER Q15109 1/20 0.36
FDPS P14324 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP26A1 O43174 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2A6 P11509 1/20 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
SCHEMBL28330901 0.84 KMT2A (0.36) KMT2AALDH1A1POLBMEN1MAPT
SCHEMBL10445502 0.80 ALDH1A1 (0.46) KMT2AALDH1A1POLBCYP3A4CYP1A2
SCHEMBL18250722 0.79 ALDH1A1 (0.42) KMT2AALDH1A1POLBMEN1MAPT
SCHEMBL21629869 0.79
SCHEMBL2932043 0.78 KMT2A (0.41) KMT2AALDH1A1POLBMEN1MAPT
SCHEMBL2797959 0.77 L3MBTL1 (0.45) KMT2AALDH1A1POLBMEN1MAPT
SCHEMBL9210148 0.77
SCHEMBL1984395 0.76 ALDH1A1 (0.40) KMT2AALDH1A1POLBFDPSCYP3A4
Iodide SCHEMBL28407463 0.76 KMT2A (0.40) KMT2AALDH1A1POLBFDPSCYP3A4
SCHEMBL23570500 0.74 KMT2A (0.39) KMT2AALDH1A1POLBFDPSCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736395-A Polyurethane foam containing combined amine catalyst and preparation method thereof 江阴市信佳科贸有限公司 2024-03-22 CN disclosed
CN-105264000-B Stabilized polyurethane polyol blends containing halogenated olefin blowing agents 阿科玛股份有限公司 2021-04-27 CN disclosed
US-20190119461-A1 STABILIZED POLYURETHANE POLYOL BLENDS CONTAINING HALOGENATED OLEFIN BLOWING AGENT ARKEMA INC (US) 2019-04-25 US disclosed
US-20160130416-A1 STABILIZED POLYURETHANE POLYOL BLENDS CONTAINING HALOGENATED OLEFIN BLOWING AGENT ARKEMA INC. 2016-05-12 US disclosed
EP-3004226-A1 STABILIZED POLYURETHANE POLYOL BLENDS CONTAINING HALOGENATED OLEFIN BLOWING AGENT Arkema, Inc. (US) 2016-04-13 EP disclosed
WO-2014193689-A1 STABILIZED POLYURETHANE POLYOL BLENDS CONTAINING HALOGENATED OLEFIN BLOWING AGENT ARKEMA INC. (US) 2014-12-04 WO disclosed
EP-1312630-B1 Process for the production of flexible polyurethane foams TOSOH CORP (JP) 2012-12-12 EP disclosed
US-7572837-B2 Process for the production of flexible polyurethane foams TOSOH CORPORATION (JP) 2009-08-11 US disclosed
US-20030144371-A1 Catalyzing the copolymerization in presence of imidazole compounds, free of tin comound, forming polyetherurethane copolymers TOSOH CORPORATION (JP) 2003-07-31 US disclosed
EP-1312630-A1 Process for the production of flexible polyurethane foams Tosoh Corporation (JP) 2003-05-21 EP disclosed