SCHEMBL6497822

SCHEMBL6497822

CC(C)(C)OC(=O)N(CCC(=O)O)C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
KDM5A P29375 3/20 0.34
PHF8 Q9UPP1 3/20 0.34
KDM2A Q9Y2K7 3/20 0.34
KDM4C Q9H3R0 2/20 0.34
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
EPHX1 P07099 1/20 0.33
KDM4A O75164 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL6486048 0.98 BTK (0.37) BTKKDM5APHF8KDM2AKDM4C
SCHEMBL9200042 0.97 KDM5A (0.38) BTKKDM5APHF8KDM2AKDM4C
SCHEMBL6498594 0.95 CA14 (0.34) BTKKDM5APHF8KDM2AKDM4C
SCHEMBL7303736 0.84 HDAC1 (0.38) KDM5APHF8KDM2AKDM4CCA14
SCHEMBL24438660 0.82 CA14 (0.34) BTKCA14EPHX1HDAC1HDAC2
SCHEMBL992260 0.82
SCHEMBL10323856 0.82 CA14 (0.34) BTKCA14EPHX1
SCHEMBL24577516 0.82 DPP4 (0.37) BTKCA14EPHX1HDAC1HDAC2
SCHEMBL6501399 0.82 NFKB1 (0.39) HDAC1HDAC2HDAC6
SCHEMBL6495211 0.81 ALDH1A1 (0.39) HDAC1HDAC2HDAC6

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-4724418-A1 TRICINE AND CITRIC ACID-BASED CATIONIC LIPIDS Sanofi (FR) 2026-04-15 EP disclosed
US-6903107-B1 Serine protease inhibitor AKZO NOBEL N.V. (NL) 2005-06-07 US disclosed