SCHEMBL25940730

SCHEMBL25940730

CC(C)C(C)(C)Cc1cc(F)cc2c1nc(CCl)n2C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.36
FAAH O00519 1/20 0.36
TRPV3 Q8NET8 1/20 0.33
NR1H2 P55055 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
AURKA O14965 1/20 0.30
CDK2 P24941 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 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
SCHEMBL21684352 0.90 FAAH (0.38) MAP4K1FAAHTRPV3NR1H2
SCHEMBL21685143 0.83 MAP4K1 (0.47) MAP4K1FAAHNR1H2
SCHEMBL21703007 0.72 NR1H2 (0.38) FAAHTRPV3NR1H2HSP90AA1HSP90AB1
SCHEMBL4385302 0.72 TBXA2R (0.46) FAAH
SCHEMBL21685572 0.72 NR1H2 (0.39) FAAHTRPV3NR1H2HSP90AA1HSP90AB1
SCHEMBL21685330 0.71 MAP4K1 (0.38) MAP4K1
SCHEMBL21684418 0.71 MAP4K1 (0.47) MAP4K1
SCHEMBL21685684 0.70 MAP4K1 (0.37) MAP4K1
SCHEMBL21703142 0.69 MAP4K1 (0.47) MAP4K1
SCHEMBL4716718 0.69 BRD4 (0.44) MAP4K1FAAHNR1H2

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