SCHEMBL9152095

SCHEMBL9152095

CCOC(=O)c1cccc2c(=O)c3cc(CCC(=O)O)c(O)cc3oc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.58
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
NPSR1 Q6W5P4 4/20 0.46
HSD17B10 Q99714 4/20 0.46
MAPK1 P28482 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NOD2 Q9HC29 1/20 0.45
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
HPGD P15428 2/20 0.43
GLA P06280 2/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL9150787 0.77 LTB4R (0.72) LTB4RALDH1A1KDM4EHSD17B10NOD2
SCHEMBL27313858 0.75 ACSL1 (0.54) LTB4RALDH1A1KDM4ENPSR1HSD17B10
SCHEMBL9149520 0.74 LTB4R (1.00) LTB4RNPSR1LTB4R2
SCHEMBL9151106 0.73 LTB4R (0.46) LTB4RALDH1A1KDM4ENPSR1HSD17B10
SCHEMBL9150034 0.73 LTB4R (0.49) LTB4RALDH1A1KDM4ENPSR1HSD17B10
SCHEMBL9261572 0.69 TSHR (0.62) ALDH1A1KDM4ENPSR1HSD17B10MAPT
SCHEMBL8878647 0.69 ALDH1A1 (0.69) ALDH1A1KDM4ENPSR1MAPTMEN1
SCHEMBL8876847 0.68 CLEC4M (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL27318901 0.68 KDM4E (0.60) LTB4RALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8875460 0.68 ALDH1A1 (0.67) ALDH1A1KDM4ENPSR1MAPTMEN1

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
EP-0442748-B1 Improvements in and relating to leukotriene antagonists LILLY CO ELI (US) 1995-01-11 EP disclosed
EP-0442748-A1 Improvements in and relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1991-08-21 EP disclosed
US-4996230-A Antiallergens, antiinflammatory agent ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed