SCHEMBL9016876

SCHEMBL9016876

CCCCCCCCCCCCCCCc1cc(C(=O)OCCCCCCCCCCCC)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.59
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
ESR1 P03372 1/20 0.51
AKR1C4 P17516 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
SMPD1 P17405 1/20 0.50

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
SCHEMBL8085884 0.88 MGLL (0.60) MAPTSMPD1
SCHEMBL15173835 0.88 MGLL (0.60) MAPTSMPD1
SCHEMBL20918131 0.86 HDAC6 (0.69) HDAC6MAPTNPC1RAB9AALDH1A1
Dodecyl 3,4-Dimethoxybenzoate SCHEMBL7801796 0.86 HDAC6 (0.69) HDAC6MAPTNPC1RAB9AALDH1A1
SCHEMBL5241260 0.86 MGLL (0.57) MAPTKMT2ASMPD1
SCHEMBL8085144 0.86 PPARA (0.58) ALDH1A1SMPD1
SCHEMBL27516230 0.85 HDAC6 (0.67) HDAC6MAPTNPC1RAB9AALDH1A1
SCHEMBL25231900 0.84 HDAC6 (0.66) HDAC6MAPTNPC1RAB9AKDM4E
SCHEMBL20237259 0.84 HDAC6 (0.66) HDAC6MAPTNPC1RAB9AKDM4E
SCHEMBL11222195 0.84 HDAC6 (0.66) HDAC6MAPTNPC1RAB9AKDM4E

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-0453010-B1 Copolymer compositions comprising a copolymer and one or more lubricating additives SHELL INT RESEARCH (NL) 1996-06-05 EP disclosed
EP-0453010-A1 Copolymer compositions comprising a copolymer and one or more lubricating additives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-10-23 EP disclosed