SCHEMBL31336276

SCHEMBL31336276

CCOC(=O)c1c(C)nc(Cl)c(C(=O)OCC)c1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 3/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HSP90AA1 P07900 1/20 0.48
ADORA3 P0DMS8 6/20 0.48
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL26608329 1.00 RAB9A (0.51) RAB9AKDM4ELMNANPC1SMN1; SMN2
SCHEMBL26608464 0.93 KMT2A (0.48) RAB9AKDM4ELMNANPC1SMN1; SMN2
SCHEMBL31336263 0.93 KMT2A (0.48) RAB9AKDM4ELMNANPC1SMN1; SMN2
SCHEMBL26608423 0.92 RAB9A (0.46) RAB9AKDM4ELMNANPC1SMN1; SMN2
SCHEMBL31336285 0.92 RAB9A (0.46) RAB9AKDM4ELMNANPC1SMN1; SMN2
SCHEMBL31336249 0.91 ADORA3 (0.50) RAB9AKDM4ELMNANPC1SMN1; SMN2
SCHEMBL26608268 0.91 ADORA3 (0.50) RAB9AKDM4ELMNANPC1SMN1; SMN2
SCHEMBL31336221 0.91 KMT2A (0.47) RAB9AKDM4ELMNANPC1SMN1; SMN2
SCHEMBL26601732 0.91 KMT2A (0.47) RAB9AKDM4ELMNANPC1SMN1; SMN2
SCHEMBL26608460 0.91 KDM4E (0.48) RAB9AKDM4ELMNANPC1SMN1; SMN2

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
CN-119546580-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-02-28 CN disclosed