SCHEMBL9262159

SCHEMBL9262159

O=C(O)C(Cc1ccccc1)CS(=O)(=O)CC(=O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.52
MMP8 P22894 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 1/20 0.46
NPC1 O15118 2/20 0.46
CPA3 P15088 1/20 0.46
FOLH1 Q04609 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
USP2 O75604 1/20 0.43
MME P08473 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
SCHEMBL9259772 1.00 FKBP1A (0.52) FKBP1AMMP8SMN1; SMN2RAB9APOLB
SCHEMBL9260528 0.88 SMN1; SMN2 (0.58) FKBP1AMMP8SMN1; SMN2RAB9APOLB
SCHEMBL7269464 0.83 FKBP1A (0.58) FKBP1AMMP8SMN1; SMN2RAB9APOLB
SCHEMBL7269457 0.83 FKBP1A (0.58) FKBP1AMMP8SMN1; SMN2RAB9APOLB
SCHEMBL7291450 0.83 FKBP1A (0.58) FKBP1AMMP8SMN1; SMN2RAB9APOLB
SCHEMBL5421601 0.81 FKBP1A (0.51) FKBP1AMMP8SMN1; SMN2RAB9APOLB
SCHEMBL5955863 0.81 FKBP1A (0.51) FKBP1AMMP8SMN1; SMN2RAB9APOLB
SCHEMBL5955811 0.81 FKBP1A (0.51) FKBP1AMMP8SMN1; SMN2RAB9APOLB
SCHEMBL9554804 0.81 FKBP1A (0.63) FKBP1AMMP8SMN1; SMN2RAB9APOLB
SCHEMBL8909332 0.81 LMNA (0.56) FKBP1AMMP8SMN1; SMN2POLBMAPT

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-5393875-A Hypotensive, cardiotonic and antiischemic agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed