SCHEMBL9302968

SCHEMBL9302968

CCOC(=O)[C@H](C)OC(=O)c1ccc(Cl)nc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
PKM P14618 1/20 0.60
DGAT1 O75907 1/20 0.56
L3MBTL1 Q9Y468 4/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 1/20 0.53
NPC1 O15118 1/20 0.50
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL9302975 1.00 POLB (0.60) POLBPKMDGAT1L3MBTL1RAB9A
SCHEMBL9343294 0.84 MAPK1 (0.50) POLBPKML3MBTL1MAPTGAA
SCHEMBL29723823 0.84 DGAT1 (0.68) POLBPKMDGAT1L3MBTL1RAB9A
SCHEMBL71884 0.84 DGAT1 (0.68) POLBPKMDGAT1L3MBTL1RAB9A
SCHEMBL3869968 0.81 POLB (0.58) POLBPKML3MBTL1RAB9AMAPT
SCHEMBL9302681 0.79 HRH3 (0.56) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL5514528 0.78 SMN1; SMN2 (0.54) POLBPKML3MBTL1RAB9AMAPT
SCHEMBL30876053 0.77 PDCD1 (0.53) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL7823348 0.77 DGAT1 (0.59) POLBPKMDGAT1L3MBTL1RAB9A
SCHEMBL9448967 0.76 CA12 (0.66) RAB9AMAPTNPC1SMN1; SMN2LMNA

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-5356559-A Optically active piperazinyl derivatives as liquid crystals HOFFMANN-LA ROCHE INC. (US) 1994-10-18 US disclosed