SCHEMBL16625742

SCHEMBL16625742

CCC(C)(C)C(=O)OCCc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP19A1 P11511 2/20 0.40
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RIPK1 Q13546 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
FKBP1A P62942 2/20 0.36
MTOR P42345 1/20 0.36
FKBP4 Q02790 1/20 0.36
FKBP5 Q13451 1/20 0.36
CYP17A1 P05093 1/20 0.35
LOXL2 Q9Y4K0 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
SCHEMBL23841133 0.85 CYP19A1 (0.43) CHRM5CHRM1CYP19A1NAMPTALDH1A1
SCHEMBL1606962 0.84 RIPK1 (0.49) CHRM5CHRM1ALDH1A1RAB9ALMNA
SCHEMBL2742155 0.83 NPC1 (0.49) CHRM5CHRM1ALDH1A1RAB9ALMNA
SCHEMBL774482 0.82 RIPK1 (0.54) RAB9ARIPK1NPC1FKBP1AMTOR
SCHEMBL9370433 0.82 CHRM5 (0.41) CHRM5CHRM1CYP19A1NAMPTALDH1A1
SCHEMBL15179714 0.80 CHRM2 (0.37) CHRM5CHRM1RAB9AMEN1KMT2A
SCHEMBL14178032 0.79 PTPRC (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1FKBP1A
SCHEMBL15179719 0.79 FKBP1A (0.36) CHRM5CHRM1RAB9AMEN1KMT2A
SCHEMBL15179706 0.78 CA1 (0.36) RAB9ASMN1; SMN2NPC1FKBP1A
SCHEMBL13921985 0.78 CYP4A11 (0.51) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9941422-B2 Organic photoelectric conversion element and solar cell using the same Konica Minolta, Inc. (JP) 2018-04-10 US disclosed
US-9882072-B2 Solar cell and transparent electrode Konica Minolta, Inc. (JP) 2018-01-30 US disclosed
US-20150096610-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL USING THE SAME SONY SEMICONDUCTOR SOLUTIONS CORPORATION (JP) 2015-04-09 US disclosed
US-20150096610-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL USING THE SAME SONY SEMICONDUCTOR SOLUTIONS CORPORATION (JP) 2015-04-09 US disclosed