SCHEMBL12428459

SCHEMBL12428459

CCCCCCCCc1ccc(N2CCc3cc(C4=C(O)/C(=C5\C(=O)N(c6ccccc6)N=C5C(=O)O)C4=O)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.46
ADRB1 P08588 15/20 0.46
ADRB3 P13945 15/20 0.46
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S1PR1 P21453 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL12428440 0.82 MEN1 (0.37) ADRB2ADRB1ADRB3TP53MAPT
SCHEMBL13866486 0.78 ADRB2 (0.44) ADRB2ADRB1ADRB3TP53MAPT
SCHEMBL12428388 0.77 OPRM1 (0.43) ADRB2ADRB1ADRB3TP53MAPT
SCHEMBL12428133 0.76 ALDH1A1 (0.42) ADRB2ADRB1ADRB3MAPTSMN1; SMN2
SCHEMBL12428211 0.75 ADRB2 (0.38) ADRB2ADRB1ADRB3TP53MAPT
SCHEMBL12428210 0.75 ADRB2 (0.37) ADRB2ADRB1ADRB3TP53MAPT
SCHEMBL12428223 0.74 ADRB2 (0.37) ADRB2ADRB1ADRB3TP53MAPT
SCHEMBL12428226 0.74 ADRB2 (0.36) ADRB2ADRB1ADRB3TP53MAPT
SCHEMBL12428196 0.73 ADRB2 (0.40) ADRB2ADRB1ADRB3TP53MAPT
SCHEMBL12428339 0.73 ADRB2 (0.40) ADRB2ADRB1ADRB3TP53MAPT

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
US-7977570-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed