SCHEMBL9257699

SCHEMBL9257699

O=C(OCc1ccccc1)C(Cc1ccccc1)CS(=O)(=O)CCC(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
FKBP1A P62942 1/20 0.51
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 2/20 0.43
USP2 O75604 1/20 0.43
MMP8 P22894 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TACR2 P21452 1/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL9260528 0.88 SMN1; SMN2 (0.58) SMN1; SMN2RAB9APOLBMEN1KMT2A
SCHEMBL7293036 0.81 MEN1 (0.51) SMN1; SMN2POLBMEN1KMT2ANPSR1
SCHEMBL7282736 0.80 CPA3 (0.48) ALDH1A1
SCHEMBL7278235 0.77 CYP1A2 (0.52) KMT2AALDH1A1
SCHEMBL7291588 0.77 MEN1 (0.47) SMN1; SMN2MEN1KMT2ANPSR1FKBP1A
SCHEMBL7291580 0.77 MEN1 (0.47) SMN1; SMN2MEN1KMT2ANPSR1FKBP1A
SCHEMBL9257705 0.76 RAB9A (0.53) SMN1; SMN2RAB9APOLBMEN1KMT2A
SCHEMBL9262159 0.76 FKBP1A (0.52) SMN1; SMN2RAB9APOLBMEN1KMT2A
SCHEMBL9259772 0.76 FKBP1A (0.52) SMN1; SMN2RAB9APOLBMEN1KMT2A
SCHEMBL7322379 0.76 FKBP1A (0.54) SMN1; SMN2POLBMEN1KMT2ANPSR1

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