SCHEMBL8924338

SCHEMBL8924338

COC(=O)c1ccc(CCCc2cccs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.59
CYP4F2 P78329 1/20 0.57
RAB9A P51151 6/20 0.53
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
BLM P54132 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
DNMT1 P26358 1/20 0.49
HPGD P15428 3/20 0.48
BMP1 P13497 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL9235992 0.85 CYP4F2 (0.63) CYP4A11CYP4F2RAB9AKMT2AL3MBTL1
SCHEMBL13230897 0.77 CYP4A11 (0.72) CYP4A11CYP4F2KMT2AMEN1HPGD
SCHEMBL70185 0.76 CYP4A11 (0.75) CYP4A11CYP4F2KMT2AMEN1HPGD
SCHEMBL2404460 0.75 CYP4A11 (0.73) CYP4A11CYP4F2RAB9ALOXL2NPC1
SCHEMBL12176878 0.75 CYP4A11 (0.70) CYP4A11CYP4F2RAB9AHPGDLOXL2
SCHEMBL2222434 0.75 SMN1; SMN2 (0.60) RAB9AL3MBTL1HPGDTRPV1NPC1
SCHEMBL10609552 0.75 CYP4A11 (0.74) CYP4A11CYP4F2KMT2AMEN1HPGD
SCHEMBL2654777 0.75 CYP4A11 (1.00) CYP4A11CYP4F2HPGDLOXL2MAPT
SCHEMBL1792416 0.75 CYP4A11 (0.74) CYP4A11CYP4F2RAB9AHPGDLOXL2
SCHEMBL1446036 0.74 CYP4A11 (0.68) CYP4A11CYP4F2KMT2AMEN1HPGD

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
US-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed
EP-0685466-A1 3-Heteroaliphatyle-and 3-hetero-(aryle)-aliphatyle-2(1H)-quinolone derivatives CIBA-GEIGY AG (CH) 1995-12-06 EP disclosed