SCHEMBL2605488

SCHEMBL2605488

Cc1ccc(/C(=C\c2ccc(N(c3ccc(CO)cc3)c3ccc(CO)cc3)cc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.52
CYP2D6 P10635 1/20 0.41
ESR1 P03372 2/20 0.41
CYP19A1 P11511 1/20 0.40
CYP11B2 P19099 1/20 0.40
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
POLB P06746 1/20 0.37
ESR2 Q92731 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL13055135 0.99 PTGS2 (0.51) PTGS2CYP2D6ESR1CYP19A1CYP11B2
SCHEMBL12572204 0.94 PTGS2 (0.48) PTGS2CYP2D6ESR1MAPTESR2
SCHEMBL14950688 0.94 PTGS2 (0.48) PTGS2CYP2D6ESR1MAPTESR2
SCHEMBL25976541 0.93 ESR1 (0.46) PTGS2CYP2D6ESR1CYP19A1CYP11B2
SCHEMBL21900941 0.93 ESR1 (0.46) PTGS2CYP2D6ESR1CYP19A1CYP11B2
SCHEMBL5949564 0.93 ESR1 (0.46) PTGS2CYP2D6ESR1CYP19A1CYP11B2
SCHEMBL13986634 0.92 MAPT (0.52) PTGS2CYP2D6NPC1MAPTRAB9A
SCHEMBL278974 0.92 CYP19A1 (0.46) PTGS2CYP2D6ESR1CYP19A1CYP11B2
SCHEMBL14174018 0.90 PTGS2 (0.44) PTGS2CYP2D6ESR1MAPTESR2
SCHEMBL14174015 0.90 ESR1 (0.46) PTGS2CYP2D6ESR1CYP19A1CYP11B2

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
EP-1662328-B1 Image forming method KONICA MINOLTA BUSINESS TECH (JP) 2012-04-25 EP disclosed
US-7851118-B2 Image forming method, image forming apparatus and organic photoreceptor KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2010-12-14 US disclosed
US-7846626-B2 Image forming method and image forming apparatus KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2010-12-07 US disclosed
US-7459256-B2 Image forming method and image forming apparatus KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2008-12-02 US disclosed