SCHEMBL15909651

SCHEMBL15909651

CC1(C)c2cccc3ccc4cc(-c5ccc6c(c5)sc5cc(N(c7ccccc7)c7ccc(-c8cccnc8)cc7)ccc56)cc1c4c23

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.38
CYP11B1 P15538 8/20 0.38
CYP19A1 P11511 7/20 0.38
CYP17A1 P05093 3/20 0.38
LIMK1 P53667 1/20 0.36
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.33
PIP5K1C O60331 1/20 0.33
PI4KA P42356 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
ERN1 O75460 1/20 0.33
PGR P06401 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2A6 P11509 1/20 0.32
PIK3CG P48736 1/20 0.32
GRM2 Q14416 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B1 P14061 1/20 0.32

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
SCHEMBL15909623 0.89 CYP11B2 (0.44) CYP11B2CYP11B1CYP19A1CYP17A1PGR
SCHEMBL15909650 0.87 CYP11B2 (0.41) CYP11B2CYP11B1CYP19A1CYP17A1LIMK1
SCHEMBL17849669 0.85 CYP11B2 (0.43) CYP11B2CYP11B1CYP19A1CYP17A1PGR
SCHEMBL15909673 0.84
SCHEMBL15909626 0.84 CYP19A1 (0.36) CYP11B2CYP11B1CYP19A1CYP17A1CYP3A4
SCHEMBL17849665 0.84 CYP11B2 (0.46) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL17849678 0.84 CYP11B2 (0.46) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL15909624 0.84 CYP11B2 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1PDK2
SCHEMBL17849664 0.82 CYP11B2 (0.51) CYP11B2CYP11B1CYP19A1CYP17A1CYP3A4
SCHEMBL13888800 0.81 LPL (0.34) HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140209872-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed
US-20140209872-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed