SCHEMBL31336285

SCHEMBL31336285

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HSP90AA1 P07900 1/20 0.44
ADORA3 P0DMS8 5/20 0.44
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL26608423 1.00 RAB9A (0.46) RAB9AKDM4ENPC1ALDH1A1LMNA
SCHEMBL31336391 0.94 LMNA (0.44) RAB9AKDM4ENPC1ALDH1A1LMNA
SCHEMBL26608226 0.94 LMNA (0.44) RAB9AKDM4ENPC1ALDH1A1LMNA
SCHEMBL26608329 0.92 RAB9A (0.51) RAB9AKDM4ENPC1ALDH1A1LMNA
SCHEMBL31336276 0.92 RAB9A (0.51) RAB9AKDM4ENPC1ALDH1A1LMNA
SCHEMBL26608460 0.90 KDM4E (0.48) RAB9AKDM4ENPC1ALDH1A1LMNA
SCHEMBL31336263 0.87 KMT2A (0.48) RAB9AKDM4ENPC1ALDH1A1LMNA
SCHEMBL26608464 0.87 KMT2A (0.48) RAB9AKDM4ENPC1ALDH1A1LMNA
SCHEMBL31336221 0.86 KMT2A (0.47) RAB9AKDM4ENPC1ALDH1A1LMNA
SCHEMBL26601732 0.86 KMT2A (0.47) RAB9AKDM4ENPC1ALDH1A1LMNA

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