SCHEMBL20201705

SCHEMBL20201705

CCOC(=O)COc1cc([C@@H](C)NC)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.53
BCHE P06276 4/20 0.42
ACHE P22303 4/20 0.42
ADRB3 P13945 2/20 0.41
NLRP3 Q96P20 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
USP2 O75604 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL20738296 0.87 BCHE (0.53) DUTBCHEACHEALDH1A1CASP3
SCHEMBL20201966 0.77 CALM1 (0.37) DUTALDH1A1CASP7USP2
SCHEMBL765724 0.76 BCHE (0.51) BCHEACHEALDH1A1
SCHEMBL20201976 0.76 ALDH1A1 (0.38) DUTALDH1A1
SCHEMBL5620982 0.74 ESR1 (0.49) ALDH1A1CASP3CASP7CASP9USP2
SCHEMBL20738339 0.74 BCHE (0.44) DUTBCHEACHEALDH1A1CASP3
SCHEMBL19918319 0.73 ACHE (0.71) BCHEACHE
SCHEMBL12810253 0.73 DUT (0.47) DUTALDH1A1USP2
SCHEMBL257483 0.72 USP2 (0.58) NLRP3ALDH1A1CASP3CASP7CASP9
SCHEMBL20206845 0.72 HTR2C (0.38) ACHEALDH1A1

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
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed