SCHEMBL8580648

SCHEMBL8580648

CCCCc1ccc(C(=O)OC)c(OC)c1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.41
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
DRD2 P14416 1/20 0.36
GALK1 P51570 1/20 0.36
CNR1 P21554 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
SLC2A1 P11166 1/20 0.34
LMNA P02545 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
SCHEMBL8581357 0.96 CNR2 (0.45) CNR2KDM4EALDH1A1HPGDMAPT
SCHEMBL8581701 0.95 CNR2 (0.44) CNR2ALDH1A1GALK1ELANETRPV1
SCHEMBL8582811 0.88 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL8581795 0.85 CMA1 (0.40) CNR2KDM4EALDH1A1HPGDMAPT
SCHEMBL8580351 0.84 ALDH1A1 (0.36) CNR2KDM4EALDH1A1HPGDMAPT
SCHEMBL8581514 0.84 ALDH1A1 (0.36) CNR2KDM4EALDH1A1HPGDMAPT
SCHEMBL8580856 0.84 ALDH1A1 (0.36) CNR2KDM4EALDH1A1HPGDMAPT
SCHEMBL8582478 0.84 METAP2 (0.37) CNR2KDM4EALDH1A1HPGDMAPT
SCHEMBL8581008 0.84 ALDH1A1 (0.37) CNR2KDM4EALDH1A1HPGDMAPT
SCHEMBL9206456 0.83 CNR2 (0.45) CNR2KDM4EALDH1A1HPGDDRD2

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-5840761-A Alkylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-11-24 US disclosed