SCHEMBL9729416

SCHEMBL9729416

CCCc1c(OC)ccc(C(=O)O)c1OCOC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYSLTR2 Q9NS75 10/20 0.43
CYSLTR1 Q9Y271 10/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 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
SCHEMBL9728892 0.88 CYSLTR2 (0.40) MAPTTDP1CYSLTR2CYSLTR1PPARG
SCHEMBL3953955 0.82 MAPT (0.43) MAPTTDP1PPARGPPARA
SCHEMBL5274212 0.80 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL9729015 0.79 NPC1 (0.41)
SCHEMBL9728623 0.78 MAPT (0.58) MAPTTDP1CYSLTR2CYSLTR1PPARG
SCHEMBL17685400 0.78 PPARG (0.48) MAPTTDP1PPARGPPARA
SCHEMBL9729444 0.77 NPC1 (0.39) CYSLTR2CYSLTR1
SCHEMBL8481540 0.75 PTPN1 (0.50) MAPTTDP1
SCHEMBL6936538 0.75 PTGER1 (0.50) MAPTTDP1
SCHEMBL13607855 0.74 MAPT (0.57) MAPTTDP1PPARGPPARA

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
US-5155106-A Reduced side effects TERUMO KABUSHIKI KAISHA (JP) 1992-10-13 US disclosed
EP-0400144-A1 CYSTEAMINE DERIVATIVES AND ANTI-RHEUMATIC AGENT CONTAINING SAME TERUMO KABUSHIKI KAISHA (JP) 1990-12-05 EP disclosed