SCHEMBL9796129

SCHEMBL9796129

CC(=O)OC(CC(C)C)c1cccc(CBr)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
PABPC1 P11940 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
EPHX1 P07099 1/20 0.33
CETP P11597 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL9796155 0.81 LMNA (0.42) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL9795950 0.81 PRKCA (0.36) CYP4F2CYP4A11PABPC1APOBEC3AAPOBEC3G
SCHEMBL9796301 0.80 CNR2 (0.36) ALDH1A1
SCHEMBL28343639 0.80 AOC3 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL28343640 0.80 AOC3 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL9796286 0.79 CYSLTR2 (0.37) ALDH1A1
SCHEMBL20179578 0.79 PABPC1 (0.52) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL765398 0.79 PABPC1 (0.52) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL20179637 0.77 FFAR1 (0.41)
SCHEMBL9795850 0.74 MAPT (0.47) ALDH1A1MEN1KMT2AMAPTRECQL

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
US-5006534-A Substituted ethers, thioethers and amines for use as lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed