SCHEMBL7405252

SCHEMBL7405252

COc1ccc(F)cc1OCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 6/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PAX8 Q06710 1/20 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
SCHEMBL5710319 0.87 CA12 (0.46) HTTSMN1; SMN2CA12CA1CA9
SCHEMBL9369968 0.85 L3MBTL1 (0.52) SMN1; SMN2CA12CA1CA9L3MBTL1
SCHEMBL11815908 0.84 L3MBTL1 (0.58) HTTSMN1; SMN2CA12CA1CA9
SCHEMBL11202364 0.78 EPHX2 (0.50) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL8780766 0.78 CA12 (0.56) CA12CA1CA9L3MBTL1ALDH1A1
SCHEMBL29675123 0.78 FDPS (0.66) HTTSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL7866969 0.77 ALDH1A1 (0.58) HTTSMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL11911915 0.75 BIRC5 (0.47) HTTSMN1; SMN2CA12CA1CA9
SCHEMBL241884 0.75 CA1 (0.52) HTTSMN1; SMN2CA12CA1CA9
SCHEMBL1640016 0.75 CA12 (0.48) HTTSMN1; SMN2CA12CA1CA9

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-4503067-A HYPOTENSIVE, ANGINA PECTORIS BOEHRINGER MANNHEIM GMBH (DE) 1985-03-05 US disclosed