SCHEMBL11564635

SCHEMBL11564635

CCCCOc1c(OC)ccc(S(=O)(=O)O)c1OC.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.44
S1PR3 Q99500 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SLC6A5 Q9Y345 1/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
SLC2A1 P11166 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL11565779 0.84 ALDH1A1 (0.44) CNR2SMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL11564632 0.83 LMNA (0.42) CNR2SMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL7269471 0.81 MAPT (0.46) SMN1; SMN2TSHRALDH1A1KMT2ALMNA
SCHEMBL17169199 0.72 ALDH1A1 (0.38) SMN1; SMN2TSHRALDH1A1MEN1GLA
SCHEMBL668439 0.71 HTR6 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL6301223 0.71 TUBB4A (0.47) SMN1; SMN2TSHRLMNAHTT
SCHEMBL6534834 0.71 TUBB4A (0.47) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL14699866 0.71 CNR2 (0.52) CNR2S1PR3TSHR
SCHEMBL9774344 0.70 S1PR3 (0.48) S1PR3SMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL12627515 0.70 SMN1; SMN2 (0.47) CNR2SMN1; SMN2TSHRALDH1A1MEN1

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-4173630-A N2 Arylsulfonyl-L-argininamides and the pharmaceutically acceptable salts thereof MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1979-11-06 US disclosed