SCHEMBL9879844

SCHEMBL9879844

C=CCc1ccc(-c2ncc(C(=O)OCC)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
MAOB P27338 4/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 1/20 0.42
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
IDO1 P14902 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL9879862 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL9879895 0.83 NPC1 (0.48) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL2132904 0.82 CA1 (0.58) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL10578448 0.82 MAPT (0.44) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL9650464 0.82 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL9289375 0.80 RARB (0.44) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL11613368 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL9505062 0.79 SNCA (0.47) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL4636262 0.79 FOS (0.54) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL4949564 0.79 POLB (0.54) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5053507-A Liquid crystal dopants ARAKAWA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-10-01 US disclosed