SCHEMBL31169871

SCHEMBL31169871

CNCCCC(=O)N(OC)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KISS1R Q969F8 1/20 0.33
NQO1 P15559 1/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.30
LTA4H P09960 1/20 0.30

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
SCHEMBL12750810 0.78 KDM4A (0.42) KDM4AKDM4CKISS1RTSHRLMNA
Hydrochloric Acid SCHEMBL25170217 0.77 KDM4A (0.45) KDM4AKDM4CKISS1RTSHRLMNA
SCHEMBL6922184 0.77 CES2 (0.45) TSHR
SCHEMBL6925793 0.77 CES2 (0.45) TSHR
SCHEMBL6927000 0.77 CES2 (0.45) TSHR
SCHEMBL6927604 0.77 CES2 (0.45) TSHR
SCHEMBL31170324 0.76 KDM4A (0.43) KDM4AKDM4CKISS1RLMNA
SCHEMBL31170662 0.73 KDM4C (0.41) KDM4AKDM4CKISS1RLMNA
SCHEMBL408247 0.73 ALDH1A1 (0.56) KDM4AKDM4CKISS1RLMNA
SCHEMBL31170679 0.70 KDM4A (0.39) KDM4AKDM4CTSHR

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