SCHEMBL14570525

SCHEMBL14570525

CCOC(=O)OCc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)c4ccc(COC(=O)OCC)cc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
PTGS2 P35354 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2D6 P10635 1/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 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
SCHEMBL279348 0.95 NR1H4 (0.44) NR1H4KMT2AMEN1CTDSP1ALDH1A1
SCHEMBL279291 0.89 NR1H4 (0.38) NR1H4KMT2AMEN1NPC1RAB9A
SCHEMBL279293 0.87 PTGS2 (0.43) NR1H4KMT2AMEN1NPC1RAB9A
SCHEMBL279044 0.87 ALDH1A1 (0.41) NR1H4KMT2AMEN1NPC1RAB9A
SCHEMBL14063402 0.84 ALDH1A1 (0.53) NR1H4KMT2AMEN1CTDSP1ALDH1A1
SCHEMBL14063396 0.83 ALDH1A1 (0.51) NR1H4KMT2AMEN1CTDSP1ALDH1A1
SCHEMBL15080664 0.81 ALDH1A1 (0.48) KMT2ANPC1RAB9ACTDSP1ALDH1A1
SCHEMBL279037 0.81 KMT2A (0.51) NR1H4KMT2AMEN1NPC1RAB9A
SCHEMBL2602484 0.81 NR1H4 (0.40) NR1H4KMT2AMEN1CTDSP1ALDH1A1
SCHEMBL20464146 0.81 NR1H4 (0.40) NR1H4KMT2AMEN1CTDSP1ALDH1A1

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-20070065741-A1 Electrophotographic photoreceptor, process cartridge, and image forming apparatus FUJI XEROX CO., LTD. (JP) 2007-03-22 US disclosed
US-20070065741-A1 Electrophotographic photoreceptor, process cartridge, and image forming apparatus FUJI XEROX CO., LTD. (JP) 2007-03-22 US disclosed