Sugi Predict

Sugi Predict / Compounds / SCHEMBL7972644

SCHEMBL7972644

SCHEMBL7972644

CCC(Oc1ccc2c(c1)C(=O)CCC2)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MAOA P21397 7/20 0.52
▸ MAOB P27338 7/20 0.52
▸ PPARA Q07869 8/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ PPARG P37231 7/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40

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
SCHEMBL7972777 0.90 SMN1; SMN2 (0.56) SMN1; SMN2MAOAMAOBPPARA
SCHEMBL7962725 0.81 SMN1; SMN2 (0.58) SMN1; SMN2MAOAMAOBPPARAPPARG
SCHEMBL10631228 0.79 MAOA (0.55) MAOAMAOBBRD4HRH3
SCHEMBL7962749 0.78 SMN1; SMN2 (0.48) SMN1; SMN2PPARABRD4PPARGMEN1
SCHEMBL8360671 0.76 MAOA (0.55) MAOAMAOBPPARAPPARGMEN1
SCHEMBL7951489 0.76 MAOA (0.55) MAOAMAOBBRD4HRH3
SCHEMBL9688253 0.76 MAOA (0.57) SMN1; SMN2MAOAMAOBBRD4MEN1
SCHEMBL6825600 0.76 MAOA (0.66) MAOAMAOBBRD4HRH3
SCHEMBL7527304 0.75 HSD17B10 (0.66) MAOAMAOBBRD4HRH3
SCHEMBL8318498 0.75 MAOA (0.51) MAOAMAOBBRD4MEN1KMT2A

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
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 — — US disclosed