SCHEMBL7972777

SCHEMBL7972777

CCC(Oc1ccc2c(c1)CCCC2=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
MAOA P21397 14/20 0.52
MAOB P27338 14/20 0.52
ADAMTS4 O75173 1/20 0.47
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
PRKCI P41743 1/20 0.47
BAZ2B Q9UIF8 1/20 0.46
PPARA Q07869 1/20 0.44

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
SCHEMBL7962725 0.92 SMN1; SMN2 (0.58) SMN1; SMN2MAOAMAOBPPARA
SCHEMBL7972644 0.90 SMN1; SMN2 (0.56) SMN1; SMN2MAOAMAOBPPARA
SCHEMBL3275944 0.79 MAOB (0.55) MAOAMAOBPRKCIBAZ2B
SCHEMBL7962734 0.78 SMN1; SMN2 (0.48) SMN1; SMN2PPARA
SCHEMBL11727398 0.77 MAOB (0.53) MAOAMAOBPRKCIBAZ2B
SCHEMBL21052075 0.77 MAOB (0.54) MAOAMAOBADAMTS4MMP2MMP13
SCHEMBL7520647 0.76 ALOX15 (0.68) MAOAMAOBPRKCI
SCHEMBL7953934 0.76 MAOB (0.55) MAOAMAOBADAMTS4MMP2MMP13
SCHEMBL17361474 0.76 MAOA (0.55) MAOAMAOBPRKCIBAZ2B
SCHEMBL6825249 0.76 MAOB (0.66) MAOAMAOB

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