SCHEMBL10693928

SCHEMBL10693928

COc1cc2c(cc1OC)C(=O)C(CCC(=O)N(C)CCc1ccc(OCc3ccccc3)cc1)C2

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.53
LTB4R2 Q9NPC1 4/20 0.53
ACHE P22303 2/20 0.46

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
SCHEMBL10427884 0.92 LTB4R (0.52) LTB4RLTB4R2ACHE
Hydrochloric Acid SCHEMBL10427943 0.86 ACHE (0.48) ACHE
SCHEMBL10695000 0.84 CDK8 (0.55) ACHE
SCHEMBL10427932 0.84 LTB4R (0.52) LTB4RLTB4R2ACHE
Hydrochloric Acid SCHEMBL10695510 0.79 BCHE (0.47) ACHE
SCHEMBL10427950 0.76 DRD2 (0.44) ACHE
SCHEMBL10427929 0.75 CDK8 (0.53) ACHE
SCHEMBL4817498 0.75
Hydrochloric Acid SCHEMBL10426964 0.74 ACHE (0.54) ACHE
SCHEMBL10699939 0.73 ACHE (0.49) ACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259782-A1 Naphthalene and indane derivatives, medicaments containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1988-03-16 EP disclosed