SCHEMBL9150034

SCHEMBL9150034

CCOC(=O)CCc1cc2c(=O)c3cc(C(=O)OCC)ccc3oc2cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.49
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 6/20 0.47
KDM4E B2RXH2 6/20 0.47
NPSR1 Q6W5P4 4/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 3/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 5/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
LMNA P02545 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL9147969 0.83 LTB4R (0.72) LTB4RALDH1A1HSD17B10KDM4EHPGD
SCHEMBL7449678 0.81 LTB4R (0.48) LTB4RALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL11340464 0.80 HPGD (0.53) ALDH1A1HSD17B10KDM4EMAPTMAPK1
SCHEMBL2301948 0.79 MEN1 (0.60) ALDH1A1HSD17B10MAPTMAPK1MEN1
SCHEMBL9147000 0.78 AKR1B1 (0.58) ALDH1A1HSD17B10KDM4EMAPTMAPK1
SCHEMBL9150788 0.76 LTB4R (0.47) LTB4RALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL11725164 0.75 KDM4E (0.64) ALDH1A1HSD17B10KDM4ENPSR1MAPT
SCHEMBL9150038 0.74 RAB9A (0.44) ALDH1A1HSD17B10KDM4EMAPTMAPK1
SCHEMBL27327288 0.73 CA12 (0.47) LTB4RALDH1A1HSD17B10KDM4EMAPT
SCHEMBL9152095 0.73 LTB4R (0.58) LTB4RALDH1A1HSD17B10KDM4ENPSR1

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