SCHEMBL9213631

SCHEMBL9213631

CCCOc1cc(C#N)ccc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.61
CYP11B2 P19099 4/20 0.61
CYP19A1 P11511 3/20 0.61
PTGDR2 Q9Y5Y4 1/20 0.50
ADRB2 P07550 3/20 0.42
GRM5 P41594 1/20 0.42
HTR7 P34969 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
ICMT O60725 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
ADRB1 P08588 1/20 0.38
KCNA5 P22460 1/20 0.38
AR P10275 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
SCHEMBL9206760 0.92 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1PTGDR2ADRB2
SCHEMBL29678079 0.92 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1PTGDR2ADRB2
SCHEMBL28337686 0.90 CYP19A1 (0.57) CYP11B1CYP11B2CYP19A1PTGDR2GRM5
SCHEMBL1046902 0.90 CYP19A1 (0.57) CYP11B1CYP11B2CYP19A1PTGDR2GRM5
SCHEMBL5310305 0.90 CYP19A1 (0.57) CYP11B1CYP11B2CYP19A1PTGDR2GRM5
SCHEMBL2572668 0.85 CYP19A1 (0.61) CYP11B1CYP11B2CYP19A1PTGDR2GRM5
SCHEMBL2570181 0.84 CYP19A1 (0.54) CYP11B1CYP11B2CYP19A1PTGDR2HTR7
SCHEMBL28481945 0.82 CYP19A1 (0.52) CYP11B1CYP11B2CYP19A1PTGDR2ADRB2
SCHEMBL9213633 0.82 ADRB2 (0.48) CYP11B1CYP11B2CYP19A1PTGDR2ADRB2
SCHEMBL2570360 0.81 CYP19A1 (0.62) CYP11B1CYP11B2CYP19A1PTGDR2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180592-B1 LIGHT MODULATING MATERIAL COMPRISING A LIQUID CRYSTAL DISPERSION IN A SYNTHETIC RESIN MATRIX UNIV KENT STATE OHIO (US) 1995-08-02 EP disclosed
EP-0238626-B1 LIQUID CRYSTAL LIGHT-MODULATING MATERIALS UNIV KENT STATE OHIO (US) 1995-05-03 EP disclosed
EP-0202341-B1 DICHROIC AZO DYES MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-03-28 EP disclosed
US-4734218-A COLOR DISPLAY MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-03-29 US disclosed
EP-0202341-A1 DICHROIC AZO DYES MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-11-26 EP disclosed