SCHEMBL6892781

SCHEMBL6892781

COC(=O)c1ccc(CCI)cc1.[Zn]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.66
CYP4F2 P78329 1/20 0.64
LOXL2 Q9Y4K0 1/20 0.61
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
CYP2C19 P33261 1/20 0.54
CKS1B P61024 1/20 0.54
SKP2 Q13309 1/20 0.54
HIF1A Q16665 1/20 0.54
MGLL Q99685 1/20 0.54
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL1426157 0.98 CYP4A11 (0.68) CYP4A11CYP4F2LOXL2ALDH1A1HPGD
SCHEMBL8758769 0.89 CYP4A11 (0.72) CYP4A11CYP4F2LOXL2ALDH1A1HPGD
SCHEMBL70185 0.88 CYP4A11 (0.75) CYP4A11CYP4F2LOXL2ALDH1A1HPGD
SCHEMBL8759158 0.87 CYP4A11 (0.73) CYP4A11CYP4F2LOXL2ALDH1A1HPGD
SCHEMBL8867548 0.86 CYP4A11 (0.68) CYP4A11CYP4F2LOXL2ALDH1A1HPGD
SCHEMBL20772356 0.86 CYP4A11 (0.71) CYP4A11CYP4F2LOXL2ALDH1A1HPGD
SCHEMBL96920 0.86 LOXL2 (0.68) CYP4A11CYP4F2LOXL2ALDH1A1HPGD
SCHEMBL3126614 0.84 LOXL2 (0.66) CYP4A11CYP4F2LOXL2ALDH1A1HPGD
SCHEMBL10609552 0.83 CYP4A11 (0.74) CYP4A11CYP4F2LOXL2ALDH1A1HPGD
SCHEMBL28800126 0.82 CYP4A11 (0.68) CYP4A11CYP4F2LOXL2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6822112-B1 PROSTAGLANDIN D2 AGONISTS; KIDNEY, CARDIOVASCULAR, AND SLEEP DISORDERS; ANTIISCHEMIC AND HYPOTENSIVE AGENTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-11-23 US disclosed
US-6482990-B1 Prostaglandin E analogues TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-11-19 US disclosed
EP-1219600-A1 PROSTAGLANDIN DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2002-07-03 EP disclosed
EP-1211241-A1 PROSTAGLANDIN E ANALOGUES TAISHO PHARMACEUTICAL CO., LTD (JP) 2002-06-05 EP disclosed