SCHEMBL5149871

SCHEMBL5149871

C(=Cc1cccc2c1Cc1ccccc1-2)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.45
NFE2L2 Q16236 5/20 0.43
TRPA1 O75762 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
MIF P14174 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
DHFR P00374 1/20 0.36
CYP19A1 P11511 1/20 0.35
SRD5A1 P18405 1/20 0.35
SRD5A2 P31213 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
SCHEMBL3952483 0.91 PNMT (0.52) PNMTALDH1A1MAOBMAOAMIF
SCHEMBL18317072 0.84 CYP3A4 (0.42) PNMTNFE2L2TRPA1ALDH1A1CYP1A2
SCHEMBL30462691 0.82 PNMT (0.47) PNMTALDH1A1MAOAMIFNPC1
SCHEMBL19418539 0.82 PNMT (0.47) PNMTALDH1A1MAOAMIFNPC1
SCHEMBL1617413 0.82 CYP1A2 (0.43) PNMTNFE2L2TRPA1ALDH1A1CYP1A2
SCHEMBL1617410 0.82 CYP1A2 (0.43) PNMTNFE2L2TRPA1ALDH1A1CYP1A2
SCHEMBL10617993 0.81 PNMT (0.47) PNMTALDH1A1MAOAMIFNPC1
SCHEMBL6421463 0.80 PNMT (0.52) PNMTALDH1A1CYP1A2MAOBMAOA
SCHEMBL31132409 0.79 CA1 (0.49) PNMTCYP1A2CYP3A4NPC1RAB9A
SCHEMBL2159269 0.78 PNMT (0.44) PNMTALDH1A1MAOBMIFNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796543-B2 Organic thin-film solar cell element DAI NIPPON PRINTING CO., LTD. (JP) 2014-08-05 US disclosed
US-20070082140-A1 Manufacturing method of laminated body, manufacturing organic device and organic thin-film solar cell using same, and organic device and organic thin-film solar cell DAI NIPPON PRINTING CO., LTD. (JP) 2007-04-12 US disclosed
US-20060261733-A1 Organic thin-film solar cell element DAI NIPPON PRINTING CO., LTD. (JP) 2006-11-23 US disclosed