SCHEMBL8777532

SCHEMBL8777532

CN(C)c1ccc(C(OCc2ccccc2)c2c(-c3ccccc3)n(C)c3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL8777602 0.89 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDNPC1RAB9A
SCHEMBL8777570 0.87 ALDH1A1 (0.38) ALDH1A1HSD17B10HPGDNPC1RAB9A
SCHEMBL8777589 0.86 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDNPC1RAB9A
SCHEMBL8777650 0.85 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDNPC1RAB9A
SCHEMBL18351210 0.80 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDNPC1RAB9A
SCHEMBL8777643 0.80 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDNPC1RAB9A
SCHEMBL8777632 0.78 CYP19A1 (0.39) ALDH1A1HPGDNPC1RAB9AMAPK1
SCHEMBL1446635 0.77 MAPK1 (0.51) ALDH1A1HPGDMAPK1LMNAMAPT
SCHEMBL1832191 0.76 MAPK1 (0.48) ALDH1A1HPGDMAPK1LMNAMAPT
SCHEMBL8777664 0.76 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDNPC1RAB9A

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
EP-0587184-B1 Pressure sensitive recording materials NEW OJI PAPER CO LTD (JP) 1997-12-29 EP disclosed
EP-0587184-A2 Pressure sensitive recording materials NEW OJI PAPER CO., LTD. (JP) 1994-03-16 EP disclosed