SCHEMBL2550065

SCHEMBL2550065

CCc1cc(C(C)c2cc(CC)c(NC(C)CC)c(CC)c2)cc(CC)c1NC(C)CC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HCAR3 P49019 3/20 0.36
GLP1R P43220 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
SCHEMBL2970042 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9
SCHEMBL727589 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9
SCHEMBL2965438 0.78 ALDH1A1 (0.45) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9
SCHEMBL725861 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9
SCHEMBL2970690 0.74 ALDH1A1 (0.39) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9
SCHEMBL725985 0.73 ALDH1A1 (0.44) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9
SCHEMBL3286364 0.69 GABRA1 (0.46) CYP3A4CYP1A2CYP2C9ALOX15
SCHEMBL2154505 0.69 HTT (0.52) ALDH1A1ALOX15HSD17B10
SCHEMBL2967805 0.67 ALDH1A1 (0.42) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9
SCHEMBL15423242 0.67 PTGS2 (0.44) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552990-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS Dow Global Technologies LLC (US) 2013-02-06 EP claimed
WO-2011123241-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-10-06 WO claimed
EP-2552990-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS Dow Global Technologies LLC (US) 2013-02-06 EP disclosed
WO-2011123241-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-10-06 WO disclosed
EP-1966265-A2 BLENDS OF DIAMINES HAVING REDUCED COLOR Albermarle Corporation (US) 2008-09-10 EP disclosed
EP-1868987-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2007-12-26 EP disclosed
WO-2007079365-A2 BLENDS OF DIAMINES HAVING REDUCED COLOR ALBEMARLE CORPORATION (US) 2007-07-12 WO disclosed
WO-2006104528-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2006-10-05 WO disclosed