SCHEMBL9355490

SCHEMBL9355490

CC(CO)Oc1ccc(C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 4/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
ABCB11 O95342 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
FKBP1A P62942 1/20 0.40
IDO1 P14902 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
GPR88 Q9GZN0 1/20 0.38
SIGMAR1 Q99720 2/20 0.37

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
SCHEMBL10629728 0.89 MTNR1A (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL25083791 0.84 SMN1; SMN2 (0.46) SMN1; SMN2RAB9AABCB11RXRARXRB
SCHEMBL2227634 0.83 TDP1 (0.46) SMN1; SMN2RAB9APRKAB2PRKAG1PRKAA2
SCHEMBL1838537 0.83 SIGMAR1 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23046356 0.83 SIGMAR1 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9358146 0.83 SIGMAR1 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15890439 0.83 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9355102 0.82 ALDH1A1 (0.51) SMN1; SMN2RAB9AABCB11KMT2AMEN1
SCHEMBL29080969 0.82 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AABCB11RXRARXRB
SCHEMBL13657979 0.81 KMT2A (0.42) SMN1; SMN2RAB9ARXRARXRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475215-B1 Carboxylic acid esters with thio groups GOODYEAR TIRE & RUBBER (US) 1994-10-19 EP disclosed
EP-0475215-A1 Carboxylic acid esters with thio groups THE GOODYEAR TIRE & RUBBER COMPANY (US) 1992-03-18 EP disclosed
US-5069819-A SYNERGISTS FOR CONVENTIONAL PHENOLIC AND AMINE ANTIOXIDANTS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-12-03 US disclosed