SCHEMBL9150787

SCHEMBL9150787

CCCCCCCCCCOc1cc2oc3c(C(=O)OCC)cccc3c(=O)c2cc1CCC(=O)OCC

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.72
KDM4E B2RXH2 3/20 0.42
NOD2 Q9HC29 1/20 0.42
FPR1 P21462 6/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 1/20 0.39
LTB4R2 Q9NPC1 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL9149520 0.84 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9147969 0.83 LTB4R (0.72) LTB4RKDM4EFPR1ALDH1A1HPGD
SCHEMBL9150020 0.83 LTB4R (0.71) LTB4RKDM4EALDH1A1HPGDLTB4R2
SCHEMBL9152095 0.77 LTB4R (0.58) LTB4RKDM4ENOD2ALDH1A1HPGD
SCHEMBL9150792 0.75 LTB4R (0.45) LTB4RKDM4ENOD2ALDH1A1RAB9A
SCHEMBL9150895 0.75 LTB4R (0.73) LTB4RKDM4EALDH1A1HPGDLTB4R2
SCHEMBL9154604 0.73 LTB4R (0.53) LTB4RKDM4EFPR1ALDH1A1HPGD
SCHEMBL9147877 0.72 TSHR (0.45) ALDH1A1
SCHEMBL9150025 0.71 LTB4R (0.44) LTB4RKDM4ENOD2ALDH1A1RAB9A
SCHEMBL9617084 0.71 LTB4R (0.69) LTB4R

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