SCHEMBL9257705

SCHEMBL9257705

O=C(CCc1ccccc1CS(=O)(=O)CCC(=O)N1CCOCC1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 8/20 0.52
FKBP1A P62942 1/20 0.51
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 2/20 0.44
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL9261440 0.85 RAB9A (0.62) RAB9ASMN1; SMN2POLBALDH1A1FKBP1A
SCHEMBL9257699 0.76 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2POLBALDH1A1FKBP1A
SCHEMBL11271699 0.71 NOTUM (0.63) RAB9ASMN1; SMN2POLBALDH1A1FKBP1A
SCHEMBL30070271 0.71 MEN1 (0.63) RAB9ASMN1; SMN2POLBALDH1A1FKBP1A
SCHEMBL29551592 0.70 ALDH1A1 (0.60) SMN1; SMN2POLBALDH1A1FKBP1AMEN1
SCHEMBL9260528 0.70 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2POLBALDH1A1FKBP1A
SCHEMBL8327592 0.70 FKBP1A (1.00) RAB9ASMN1; SMN2POLBALDH1A1FKBP1A
SCHEMBL23279539 0.70 ALDH1A1 (0.48) POLBALDH1A1FKBP1AKDM4EHPGD
SCHEMBL24658483 0.69 GAA (0.61) RAB9ASMN1; SMN2POLBFKBP1AKDM4E
SCHEMBL10058128 0.69 ITGB3 (0.52) RAB9ASMN1; SMN2POLBALDH1A1FKBP1A

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