SCHEMBL9522938

SCHEMBL9522938

COC(=O)c1cccc(CCF)c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.73
CYP4A11 Q02928 3/20 0.73
LOXL2 Q9Y4K0 2/20 0.71
SLC7A5 Q01650 1/20 0.56
MRGPRX4 Q96LA9 4/20 0.56
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HIF1A Q16665 1/20 0.50
DHODH Q02127 1/20 0.49
PARP1 P09874 1/20 0.49
FOLH1 Q04609 1/20 0.49
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL70173 0.90 CYP4F2 (0.83) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL3012713 0.87 LOXL2 (0.76) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL5564526 0.86 LOXL2 (0.70) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
Hydrochloric Acid SCHEMBL4447485 0.85 LOXL2 (0.73) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL1696378 0.85 CYP4F2 (0.76) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL1926802 0.85 CYP4F2 (0.76) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL10609527 0.85 CYP4F2 (0.76) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL46931 0.85 CYP4A11 (1.00) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL5725416 0.84 CYP4A11 (0.73) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL27902693 0.84 CYP4F2 (0.69) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015152128-A1 AMINO ACID PRECURSOR, AMINO ACID, AND PRODUCTION METHOD FOR AMINO ACID, AND PET DIAGNOSTIC TRACER USING AMINO ACID 長瀬産業株式会社 2015-10-08 WO disclosed
EP-0523067-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-20 EP disclosed