SCHEMBL17814813

SCHEMBL17814813

OC(c1ccccc1)(c1ccccc1)c1cccc2c1oc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALOX5 P09917 3/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAOA P21397 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
CDC14B O60729 3/20 0.39
CDC14A Q9UNH5 3/20 0.39
GGPS1 O95749 1/20 0.38
AHR P35869 1/20 0.37
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
KDM5A P29375 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
SCHEMBL4552061 0.88 ALOX5 (0.51) CYP2C19MEN1KMT2AALOX5CRHBP
SCHEMBL22155881 0.82 ALOX5 (0.51) CYP2C19MEN1KMT2AALOX5CRHBP
SCHEMBL16614125 0.79 ALOX5 (0.46) CYP2C19MEN1KMT2AALOX5CRHBP
SCHEMBL22146689 0.78 ALOX5 (0.47) CYP2C19MEN1KMT2AALOX5HPGD
SCHEMBL18364037 0.78 ALOX5 (0.42) CYP2C19MEN1KMT2AALOX5HPGD
SCHEMBL17917521 0.78 CDC14B (0.39) CYP2C19MEN1KMT2AALOX5HPGD
SCHEMBL21343402 0.77 CDC14B (0.43) CYP2C19MEN1KMT2AALOX5CRHBP
SCHEMBL17307494 0.77 ALOX5 (0.47) CYP2C19MEN1KMT2AALOX5CDC14B
SCHEMBL10109059 0.77 ALOX5 (0.50) CYP2C19MEN1KMT2AALOX5CDC14B
SCHEMBL21102390 0.76 ALOX5 (0.49) CYP2C19MEN1KMT2AALOX5CDC14B

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-2016089162-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-06-09 WO disclosed