SCHEMBL10042906

SCHEMBL10042906

CCCCc1ccc(N(c2ccc(-c3c(C)cc(C)cc3C)cc2)c2ccc(-c3c(C)cc(C)cc3C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HSD11B1 P28845 3/20 0.41
RARB P10826 3/20 0.41
NISCH Q9Y2I1 1/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
GPR84 Q9NQS5 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6934071 0.85 RARB (0.52) HSD11B1RARBHPGDRAB9ACYP3A4
SCHEMBL15158552 0.84 RARB (0.46) SKP2CA1CA2HSD11B1RARB
SCHEMBL13049486 0.83 ALDH1A1 (0.35) HPGDCYP3A4CYP1A2
SCHEMBL13197742 0.83 SKP2 (0.44) SKP2CA1CA2NPC1HPGD
SCHEMBL14594234 0.82 RARB (0.50) CA1CA2HSD11B1RARBNISCH
SCHEMBL258192 0.82 RARB (0.50) CA1CA2HSD11B1RARBNISCH
SCHEMBL2607544 0.82 RARB (0.50) CA1CA2HSD11B1RARBNISCH
SCHEMBL12593383 0.82 RARB (0.50) CA1CA2HSD11B1RARBNISCH
SCHEMBL17702098 0.82 RARB (0.50) CA1CA2HSD11B1RARBNISCH
SCHEMBL2771840 0.82 RARB (0.50) CA1CA2HSD11B1RARBNISCH

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-20120037889-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE AND ILLUMINATION DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2012-02-16 US disclosed