SCHEMBL27872144

SCHEMBL27872144

COc1ccc2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
CYP2A6 P11509 1/20 0.56
CYP11B2 P19099 4/20 0.55
CYP11B1 P15538 3/20 0.55
CYP17A1 P05093 2/20 0.54
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2B6 P20813 1/20 0.51
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL13015667 0.97 CYP11B2 (0.58) CYP1A2CYP2A6CYP11B2CYP11B1CYP17A1
SCHEMBL1041430 0.92 CYP1A2 (0.61) CYP1A2CYP2A6CYP11B2CYP11B1CYP17A1
SCHEMBL14233923 0.90 CYP1A2 (0.59) CYP1A2CYP2A6CYP11B2CYP11B1CYP17A1
SCHEMBL11978895 0.90 CYP11B2 (0.49) CYP1A2CYP2A6CYP11B2CYP11B1CYP17A1
SCHEMBL22993026 0.88 CYP1A2 (0.57) CYP1A2CYP2A6CYP11B2CYP11B1CYP2C9
SCHEMBL15366516 0.87 CYP1A2 (0.61) CYP1A2CYP2A6CYP11B2CYP11B1CYP17A1
SCHEMBL13820654 0.85 CYP11B2 (0.51) CYP1A2CYP2A6CYP11B2CYP11B1CYP17A1
SCHEMBL13820733 0.85 CYP11B2 (0.51) CYP1A2CYP2A6CYP11B2CYP11B1CYP17A1
SCHEMBL12331009 0.85 CYP11B2 (0.57) CYP1A2CYP2A6CYP11B2CYP11B1CYP17A1
SCHEMBL14363713 0.85 CYP11B2 (0.50) CYP1A2CYP2A6CYP11B2CYP11B1CYP17A1

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
CN-102659504-B Organic electric-field light-emitting element, display unit and lighting device JNC CORPORATION (JP) 2016-05-04 CN disclosed
CN-102675032-A 2,7-bis-anthracene naphthalene compound, light emitting layer material, organic electroluminescent element, display device and lighting device CHISSO CORP 2012-09-19 CN disclosed
CN-102659504-A Emission layer material, organic electroluminescence element, display device and lighting device JNC CORP 2012-09-12 CN disclosed