SCHEMBL7434870

SCHEMBL7434870

COC(=O)CCc1ccc(NCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
FFAR1 O14842 4/20 0.44
EPHX2 P34913 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
FFAR4 Q5NUL3 1/20 0.39
F2RL1 P55085 1/20 0.39
POLB P06746 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL4612953 0.85 SMN1; SMN2 (0.51) CYP4F2CYP4A11
SCHEMBL1688815 0.84 POLB (0.47) POLBPTPN1
SCHEMBL16355781 0.82 MAPT (0.43) CYP4F2CYP4A11POLBCA1CA2
SCHEMBL6755422 0.81 CYP17A1 (0.54) IDO1EPHX2
SCHEMBL28250548 0.81 LOXL2 (0.44) POLBCA1CA2
SCHEMBL4615301 0.79 NR1H4 (0.47) FFAR1EPHX2POLBCA2
SCHEMBL10982252 0.79 CYP4F2 (0.50) FFAR1ADRB2ADRB1HRH3CYP4F2
SCHEMBL25262780 0.79 CYP4F2 (0.60) ADRB2ADRB1HRH3CYP4F2CYP4A11
SCHEMBL9135725 0.79 MAPT (0.53) FFAR1POLBCA1CA2
SCHEMBL14798407 0.79 IDO1 (0.46) IDO1EPHX2ADRB2ADRB1CYP4F2

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-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP disclosed