SCHEMBL31170679

SCHEMBL31170679

CNCCCC(=O)N(C)C(=O)COC

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
ALDH1A1 P00352 1/20 0.31
TSHR P16473 2/20 0.31

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
SCHEMBL12450481 0.78 HPGD (0.35) ALDH1A1TSHR
SCHEMBL31170324 0.77 KDM4A (0.43) KDM4AKDM4CALDH1A1
SCHEMBL31170497 0.76 KDM4A (0.42) KDM4AKDM4CALDH1A1
SCHEMBL12750810 0.76 KDM4A (0.42) KDM4AKDM4CALDH1A1TSHR
SCHEMBL408247 0.74 ALDH1A1 (0.56) KDM4AKDM4CALDH1A1
Hydrochloric Acid SCHEMBL25170217 0.74 KDM4A (0.45) KDM4AKDM4CALDH1A1TSHR
SCHEMBL24850938 0.71 KDM4A (0.44) KDM4AKDM4CALDH1A1
SCHEMBL31169871 0.70 KDM4A (0.41) KDM4AKDM4CTSHR
SCHEMBL19914456 0.69 KDM4A (0.55) KDM4AKDM4CALDH1A1
SCHEMBL31170657 0.68 HDAC6 (0.40)

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-4712961-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024238633-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2024-11-21 WO disclosed