SCHEMBL25944756

SCHEMBL25944756

CC(C)Cc1cccc2cc(Cn3cccc(NC(=O)CCC/C=C/C=O)c3=O)[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 17/20 0.57
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.37
PTGER3 P43115 1/20 0.36

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
SCHEMBL25944728 0.93 MAP4K1 (0.59) MAP4K1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL25944793 0.89 MAP4K1 (0.60) MAP4K1ALDH1A1TSHRHSD17B10
SCHEMBL25944753 0.89 MAP4K1 (0.73) MAP4K1
SCHEMBL25944945 0.87 MAP4K1 (0.57) MAP4K1ALDH1A1TSHRHSD17B10
SCHEMBL25938538 0.85 MAP4K1 (0.58) MAP4K1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL25947832 0.83 ALDH1A1 (0.43) MAP4K1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL25945185 0.82 MAP4K1 (0.58) MAP4K1ALDH1A1TSHRHSD17B10
SCHEMBL25949955 0.81 MAP4K1 (0.57) MAP4K1ALDH1A1TSHRHSD17B10
SCHEMBL25945536 0.80 MAP4K1 (0.62) MAP4K1
SCHEMBL25944744 0.80 MAP4K1 (0.56) MAP4K1ALDH1A1TSHRHSD17B10PTGER3

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
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed