Sugi Predict

Sugi Predict / Compounds / SCHEMBL9515500

SCHEMBL9515500

SCHEMBL9515500

CCCc1c(OCc2ccccc2)ccc2c1OC(CCC(=O)OC)(CCC(=O)OC)CC2=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 12/20 0.42
▸ LTB4R2 Q9NPC1 12/20 0.42
▸ MAOB P27338 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ MTNR1A P48039 1/20 0.36
▸ CTSD P07339 1/20 0.35
▸ APP P05067 1/20 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
SCHEMBL9513076 0.93 LTB4R (0.48) LTB4RLTB4R2MAOBMRGPRX4
SCHEMBL9512237 0.87 LTB4R (0.47) LTB4RLTB4R2
SCHEMBL9511722 0.81 LTB4R (0.35) LTB4RLTB4R2
SCHEMBL9515544 0.80 PPARD (0.44) LTB4RLTB4R2
SCHEMBL9513179 0.80 LTB4R (0.53) LTB4RLTB4R2
SCHEMBL9515334 0.78 LTB4R (0.62) LTB4RLTB4R2
SCHEMBL9513644 0.78 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL9515357 0.78 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL9514458 0.78 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL9512244 0.78 LTB4R (0.53) LTB4RLTB4R2

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-0342664-B1 2,2-disubstituted benzopyran leukotriene-D4 antagonists SEARLE & CO (US) 1993-12-15 — — EP disclosed
US-5093353-A 2,2-di-substituted benzopyran leukotriene-D4 antagonists G. D. SEARLE & CO. (US) 1992-03-03 — — US disclosed
EP-0342664-A2 2,2-disubstituted benzopyran leukotriene-D4 antagonists G.D. Searle & Co. (US) 1989-11-23 — — EP disclosed