SCHEMBL8921794

SCHEMBL8921794

COC(=O)c1cccc(CCCS)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 5/20 0.73
CYP4F2 P78329 4/20 0.73
FOLH1 Q04609 2/20 0.64
LOXL2 Q9Y4K0 1/20 0.62
SLC7A5 Q01650 1/20 0.54
MRGPRX4 Q96LA9 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DHODH Q02127 1/20 0.48
HIF1A Q16665 1/20 0.48
PARP1 P09874 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6011697 0.90 CYP4F2 (0.73) CYP4A11CYP4F2FOLH1LOXL2SLC7A5
SCHEMBL10606812 0.89 CYP4A11 (0.75) CYP4A11CYP4F2FOLH1LOXL2SLC7A5
SCHEMBL70173 0.87 CYP4F2 (0.83) CYP4A11CYP4F2FOLH1LOXL2SLC7A5
SCHEMBL1792728 0.86 CYP4A11 (0.75) CYP4A11CYP4F2FOLH1LOXL2SLC7A5
SCHEMBL5663990 0.86 CYP4A11 (0.91) CYP4A11CYP4F2FOLH1LOXL2SLC7A5
SCHEMBL18540811 0.84 CYP4A11 (1.00) CYP4A11CYP4F2FOLH1LOXL2SLC7A5
SCHEMBL6614812 0.84 CYP4A11 (0.73) CYP4A11CYP4F2FOLH1LOXL2SLC7A5
SCHEMBL5725416 0.84 CYP4A11 (0.73) CYP4A11CYP4F2FOLH1LOXL2SLC7A5
SCHEMBL19078986 0.84 CYP4A11 (0.78) CYP4A11CYP4F2FOLH1LOXL2SLC7A5
SCHEMBL8921788 0.84 CYP4A11 (0.73) CYP4A11CYP4F2FOLH1LOXL2SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed
CN-1120538-A 3-heteroaliphatyl- and 3-hetero (aryl) aliphatyl-2(1H)-quinolone dericatives CIBA GEIGY AG (CH) 1996-04-17 CN disclosed
EP-0685466-A1 3-Heteroaliphatyle-and 3-hetero-(aryle)-aliphatyle-2(1H)-quinolone derivatives CIBA-GEIGY AG (CH) 1995-12-06 EP disclosed