SCHEMBL15080672

SCHEMBL15080672

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.38
LMNA P02545 3/20 0.37
BACE1 P56817 1/20 0.35
CA12 O43570 1/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL279297 0.92 CTDSP1 (0.44) CTDSP1LMNABACE1CA12AKR1B10
SCHEMBL279591 0.80 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL279498 0.80 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12316657 0.79 KCNA3 (0.40) CTDSP1LMNARAB9AALDH1A1MAPT
SCHEMBL279595 0.78 ALDH1A1 (0.45) CTDSP1LMNABACE1CA12AKR1B10
SCHEMBL279338 0.76 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL279308 0.76 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL279306 0.73 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14492858 0.73 CTDSP1 (0.41) CTDSP1LMNABACE1RAB9ANPC1
SCHEMBL279044 0.73 ALDH1A1 (0.41) LMNARAB9ANPC1SMN1; SMN2ALDH1A1

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-8475982-B2 Charge-transporting compound, electrophotographic photoreceptor, image-forming apparatus, and process cartridge FUJI XEROX CO., LTD. (JP) 2013-07-02 US disclosed
US-8475982-B2 Charge-transporting compound, electrophotographic photoreceptor, image-forming apparatus, and process cartridge FUJI XEROX CO., LTD. (JP) 2013-07-02 US disclosed