SCHEMBL8441685

SCHEMBL8441685

CCOc1cc(C(=O)OC)c(OC2CCCCO2)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1cc(OC)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.46
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
EDNRB P24530 2/20 0.35
MOGAT2 Q3SYC2 1/20 0.35
KDM4E B2RXH2 2/20 0.35
RCE1 Q9Y256 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CCR9 P51686 3/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL8443151 0.95 ALDH1A1 (0.41) EDNRAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8444252 0.90 EDNRB (0.46) EDNRAEDNRB
SCHEMBL8445360 0.90 ALDH1A1 (0.42) EDNRAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8441932 0.88 EDNRA (0.45) EDNRAEDNRB
SCHEMBL8441557 0.85 ALDH1A1 (0.42) EDNRAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8445338 0.85 ALDH1A1 (0.41) EDNRAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8441255 0.85 EDNRA (0.40) EDNRAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8443878 0.84 EDNRA (0.36) EDNRAEDNRB
SCHEMBL8445329 0.83 NPC1 (0.38) ALDH1A1MAPTLMNAKDM4EHSD17B10
SCHEMBL8444402 0.82 NPC1 (0.37) EDNRAALDH1A1MAPTLMNASMN1; SMN2

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-5962682-A Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN-LA ROCHE INC. (US) 1999-10-05 US disclosed