SCHEMBL8957203

SCHEMBL8957203

C=CCc1c(O)ccc(C(=O)NC)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
SRD5A1 P18405 1/20 0.41
PTPN1 P18031 2/20 0.40
DHODH Q02127 1/20 0.40
MTNR1A P48039 1/20 0.39
TYR P14679 2/20 0.38
CYP19A1 P11511 1/20 0.38
EGFR P00533 1/20 0.37
XDH P47989 1/20 0.36
GAA P10253 3/20 0.35
MAOB P27338 1/20 0.35
GABRA1 P14867 2/20 0.35

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
SCHEMBL9303754 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL31657717 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL3961509 0.83 CA12 (0.47) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL3958942 0.82 PLK1 (0.49) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL2925754 0.81 SELL (0.52) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL6936437 0.81 HPGD (0.48) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL8957163 0.80 SRD5A1 (0.43) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL31729525 0.78 MAPT (0.46) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL3805241 0.78 MAPT (0.46) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL6939620 0.78 HPGD (0.46) ALDH1A1HSD17B10MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532383-A Leukotriene B4 antagonists G. D. SEARLE & CO. (US) 1996-07-02 US disclosed
EP-0593478-B1 LEUKOTRIENE B 4 ANTAGONISTS SEARLE & CO (US) 1995-12-06 EP disclosed
US-5439937-A Leukotriene B4 antagonists G. D. SEARLE & CO. (US) 1995-08-08 US disclosed
US-5310951-A Benzopyran-2-propanoic acid derivatives; antiinflammatory agents G.D. SEARLE & CO. (US) 1994-05-10 US disclosed
EP-0593478-A1 LEUKOTRIENE B 4? ANTAGONISTS. SEARLE & CO (US) 1994-04-27 EP disclosed
US-5124350-A Antiinflammatory agent G. D. SEARLE & CO. (US) 1992-06-23 US disclosed
WO-1992000011-A2 LEUKOTRIENE B4 ANTAGONISTS G.D. SEARLE & CO. (US) 1992-01-09 WO disclosed