SCHEMBL12354522

SCHEMBL12354522

CCC(C)C(=O)OCCCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL27261471 0.89 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4ETDP1CYP3A4
SCHEMBL795218 0.89 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4ETDP1CYP3A4
SCHEMBL27261474 0.89 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4ETDP1CYP3A4
SCHEMBL17092601 0.86 MEN1 (0.50) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL23870903 0.84 MEN1 (0.50) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL17550349 0.84 MEN1 (0.47) ALDH1A1MEN1KMT2AKDM4EHRH3
SCHEMBL9053630 0.82 RAB9A (0.46) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL19204364 0.81 KDM4E (0.50) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL4921067 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2LMNAPOLB
SCHEMBL13538389 0.80 KDM4E (0.49) ALDH1A1MEN1NPC1RAB9AKMT2A

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-7998542-B2 Composition, retardation plate, liquid-crystal display device, and method for producing retardation plate FUJIFILM CORPORATION (JP) 2011-08-16 US disclosed
US-20090174844-A1 Composition, Retardation Plate, Liquid-Crystal Display Device, and Method for Producing Retardation Plate FUJIFILM CORPORATION (JP) 2009-07-09 US disclosed