SCHEMBL19645244

SCHEMBL19645244

C=C(C)C(=O)OCCc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(CCOC(=O)C(C)(C)C)cc5)cc4)CCCCC3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ADORA3 P0DMS8 1/20 0.36
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
OPRM1 P35372 1/20 0.31
PPARA Q07869 1/20 0.31
THRB P10828 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL20192387 0.96 ADORA3 (0.39) CA1CA2ADORA3PPARATHRB
SCHEMBL2602480 0.93 CA1 (0.42) CA1CA2ADORA3KDM4ELMNA
SCHEMBL2602555 0.89 ADORA3 (0.39) CA1CA2ADORA3KDM4ELMNA
SCHEMBL2602534 0.86 ADORA3 (0.37) CA1CA2ADORA3LMNAPPARA
SCHEMBL12680065 0.84 THRB (0.41) CA1CA2ADORA3KDM4ELMNA
SCHEMBL20192388 0.83 CA1 (0.36) CA1CA2PPARATHRB
SCHEMBL21880307 0.83 TSHR (0.38) CA1CA2ADORA3KDM4ELMNA
SCHEMBL13839851 0.81 THRB (0.45) CA1CA2THRBCHRM2CHRM4
SCHEMBL9915741 0.81 THRB (0.45) CA1CA2THRBCHRM2CHRM4
SCHEMBL14981836 0.79 THRB (0.44) CA1CA2THRBCHRM2CHRM4

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-9829813-B2 Fluorine-containing resin particle dispersion, method for preparing fluorine-containing resin particle dispersion, coating liquid which contains fluorine-containing resin particles, method for preparing coating film which contains fluorine-containing resin particles, coating film which contains fluorine-containing resin particles, molded body, electrophotographic photoreceptor, method for preparing electrophotographic photoreceptor, image forming apparatus, and process cartridge FUJI XEROX CO., LTD. (JP) 2017-11-28 US disclosed