SCHEMBL9974978

SCHEMBL9974978

CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)c(-c3ccc(-c4ccccn4)cc3)cc2-c2ccc(-c3ccccn3)cc2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.40
LIPG Q9Y5X9 2/20 0.40
DGAT1 O75907 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDK2 Q15119 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
METAP1 P53582 1/20 0.35

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
SCHEMBL15856871 0.89 LPL (0.42) LPLLIPGDGAT1CYP1A2CYP2D6
SCHEMBL15856869 0.89 LPL (0.42) LPLLIPGDGAT1CYP1A2CYP2D6
SCHEMBL9974966 0.89 DGAT1 (0.33) LPLLIPGDGAT1CYP1A2CYP2D6
SCHEMBL19781094 0.86 LPL (0.44) LPLLIPGDGAT1CYP1A2CYP2D6
SCHEMBL29771558 0.81 LPL (0.44) LPLLIPGDGAT1CYP1A2CYP2D6
SCHEMBL18015286 0.81 LPL (0.44) LPLLIPGDGAT1CYP1A2CYP2D6
SCHEMBL29413172 0.81 LIPG (0.62) LPLLIPGDGAT1CYP1A2CYP2D6
SCHEMBL1827472 0.81 LIPG (0.62) LPLLIPGDGAT1CYP1A2CYP2D6
SCHEMBL18015450 0.81 LPL (0.40) LPLLIPGDGAT1CYP1A2CYP2D6
SCHEMBL23059128 0.80 KDM4E (0.41) LPLLIPGDGAT1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012081541-A1 1, 2, 4, 5-SUBSTITUTED PHENYL DERIVATIVE, PRODUCTION METHOD FOR SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 (JP) 2012-06-21 WO disclosed