SCHEMBL6859975

SCHEMBL6859975

CCC(C)Nc1ccccc1Cc1ccccc1NC(C)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TP53 P04637 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CYP3A4 P08684 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ELANE P08246 1/20 0.36
LATS1 O95835 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LATS2 Q9NRM7 1/20 0.36
HCAR3 P49019 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL21888803 0.89 L3MBTL1 (0.55) L3MBTL1ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL48533 0.85 TSHR (0.58) L3MBTL1ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL29385988 0.85 TSHR (0.58) L3MBTL1ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL9192542 0.79 LIPG (0.47) L3MBTL1ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL14930874 0.78 ALDH1A1 (0.50) L3MBTL1ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL13303751 0.78 ALDH1A1 (0.50) L3MBTL1ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL4229462 0.76 TSHR (0.48) L3MBTL1ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL11285197 0.76 TDP1 (0.48) L3MBTL1ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL29922590 0.76 TDP1 (0.48) L3MBTL1ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL24635574 0.76 ALDH1A1 (0.41) L3MBTL1ALDH1A1CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797789-B2 CHEMICAL RESISTANCE, LOW MOISTURE TRANSMISSION, CORROSION RESISTANCE VISURON TECHNOLOGIES, INC. 2004-09-28 US disclosed
US-6605684-B2 Reacting an amine chain extender with dialkyl maleate or fumarate to form aspartic ester, blending the product with polyoxyalkyleneamines to prepare a resin blend, reacting the blend with an isocyanate to form polyurea elastomer HUNTSMAN PETROCHEMICAL CORPORATION 2003-08-12 US disclosed
US-20030109644-A1 Phenolic / polyurea coating co-polymer compositions and process VISURON TECHNOLOGIES, INC. 2003-06-12 US disclosed
US-20020103326-A1 Reacting an amine chain extender with dialkyl maleate or fumarate to form aspartic ester, blending the product with polyoxyalkyleneamines to prepare a resin blend, reacting the blend with an isocyanate to form polyurea elastomer HUNTSMAN PETROCHEMICAL CORPORATION 2002-08-01 US disclosed
US-6399736-B1 POLYURETHANE ELASTOMERS HUNTSMAN PETROCHEMICAL CORPORATION 2002-06-04 US disclosed
US-6013755-A REACTING A DIISOCYANATE WITH A RESIN BLEND OF POLYOXYALKYLENEAMINE AND REACTION PRODUCT OF DIAMINE AND DIALKYL MALEATE; GELATION INHIBITION, CURING CONTROL HUNTSMAN PETROCHEMICAL CORPORATION (US) 2000-01-11 US disclosed
US-5589543-A CHAIN EXTENTION OF POLYETHERURETHANE COPOLYMER TELECHELIC POLYMERS AMOCO CORPORATION (US) 1996-12-31 US disclosed