SCHEMBL30970409

SCHEMBL30970409

COC(=O)/C=C/c1cc2c(cc1Cl)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 4/20 0.59
POLB P06746 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
TP53 P04637 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RECQL P46063 2/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42

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
SCHEMBL20474213 0.85 ALDH1A1 (0.59) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL20439669 0.84 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL672281 0.84 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL672283 0.84 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL29110172 0.75 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL2486592 0.75 KDM4E (1.00) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL30259471 0.75 KDM4E (1.00) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL2486594 0.75 KDM4E (1.00) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL30970392 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL19918087 0.74 CYP3A4 (0.50) ALDH1A1KDM4EPOLBGAAMAPT

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-4626870-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS University of Copenhagen (DK) 2025-10-08 EP disclosed
WO-2024115641-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2024-06-06 WO disclosed