SCHEMBL15524450

SCHEMBL15524450

C=Cc1cc(CCCBr)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.41
▸ CYP1A1 P04798 2/20 0.37
▸ CYP1B1 Q16678 2/20 0.37
▸ CYP19A1 P11511 2/20 0.37
▸ CALM1 P0DP23 4/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ AHR P35869 2/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16951086 0.85 PTGS2 (0.53) PTGS2CYP1A1CYP1B1CYP19A1CALM1
SCHEMBL14761013 0.84 PTGS2 (0.41) PTGS2CYP1A1CYP1B1CYP19A1CALM1
SCHEMBL15524762 0.83 CYP1A1 (0.42) PTGS2CYP1A1CYP1B1CYP19A1AHR
SCHEMBL11098567 0.82 CYP19A1 (0.50) PTGS2CYP1A1CYP1B1CYP19A1CALM1
SCHEMBL16954160 0.81 PTGS2 (0.44) PTGS2CYP1A1CYP1B1CYP19A1CALM1
SCHEMBL16959057 0.78 CYP1A1 (0.43) PTGS2CYP1A1CYP1B1CYP19A1AHR
SCHEMBL14760892 0.76 CYP1A1 (0.42) PTGS2CYP1A1CYP1B1CYP19A1AHR
SCHEMBL25195786 0.74 CYP1A1 (0.56) PTGS2CYP1A1CYP1B1CYP19A1AHR
SCHEMBL2017917 0.74 CYP1A1 (0.64) PTGS2CYP1A1CYP1B1CYP19A1AHR
SCHEMBL16951177 0.73 CYP1A1 (0.39) PTGS2CYP1A1CYP1B1CYP19A1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079989-B2 Charge control resin and manufacturing method of the same ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2015-07-14 — — US disclosed
US-20150025213-A1 CHARGE CONTROL RESIN AND MANUFACTURING METHOD OF THE SAME ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2015-01-22 — — US disclosed
US-8883946-B2 Charge control resin and manufacturing method of the same ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2014-11-11 — — US disclosed
US-20140080989-A1 CHARGE CONTROL RESIN AND MANUFACTURING METHOD OF THE SAME ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2014-03-20 — — US disclosed
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