SCHEMBL8070146

SCHEMBL8070146

CS(=O)(=O)c1cc(C(=O)O)ccc1Oc1ccc(C(O)CSc2ccc3ccccc3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRNP P04156 7/20 0.39
RXFP1 Q9HBX9 4/20 0.39
GPBAR1 Q8TDU6 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPK10 P53779 2/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LTB4R Q15722 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
CYSLTR1 Q9Y271 3/20 0.36
TTR P02766 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36

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
Hydrochloric Acid SCHEMBL8075315 0.88 SLC9A1 (0.39)
Hydrochloric Acid SCHEMBL8075312 0.87 PRNP (0.35) PRNPRXFP1NPSR1MAPK10RAB9A
SCHEMBL8070681 0.86 MAPT (0.42) RAB9AKDM4EALDH1A1MEN1KMT2A
SCHEMBL8070783 0.83 PTPN1 (0.44) RAB9AKDM4EALDH1A1KMT2AMAPT
SCHEMBL8059458 0.77 GPBAR1 (0.50) GPBAR1CYSLTR1CYSLTR2
Hydrochloric Acid SCHEMBL8075101 0.74 SLC9A1 (0.41)
SCHEMBL7995261 0.73 TTR (0.61) NPSR1ALDH1A1TTR
Hydrochloric Acid SCHEMBL8075097 0.73 SMN1; SMN2 (0.39) RAB9AKDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8070138 0.72 CA1 (0.40) RAB9AMAPT
SCHEMBL8073502 0.72 TTR (0.51) NPSR1ALDH1A1MAPTTTR

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-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed