SCHEMBL9527216

SCHEMBL9527216

CCCc1c(OCCCOc2ccc(-c3c[nH]c(SCCc4ccccc4)n3)c(OC)c2CCC)ccc2c1OC(C(=O)OC)CC2

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.64
LTB4R2 Q9NPC1 12/20 0.60

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
SCHEMBL9198731 0.95 LTB4R (0.71) LTB4RLTB4R2
SCHEMBL8990523 0.89 LTB4R (0.77) LTB4RLTB4R2
SCHEMBL9527226 0.88 LTB4R (0.59) LTB4RLTB4R2
SCHEMBL9199443 0.85 LTB4R (0.64) LTB4RLTB4R2
SCHEMBL9373296 0.80 LTB4R (0.67) LTB4RLTB4R2
SCHEMBL9198403 0.80 LTB4R (0.87) LTB4RLTB4R2
SCHEMBL9194548 0.79 LTB4R (0.87) LTB4RLTB4R2
SCHEMBL9198565 0.79 LTB4R (0.87) LTB4RLTB4R2
SCHEMBL9192574 0.79 LTB4R (0.88) LTB4RLTB4R2
SCHEMBL8990426 0.78 LTB4R (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527922-A1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF. SEARLE & CO (US) 1993-02-24 EP disclosed
WO-1991017160-A1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed