SCHEMBL9707997

SCHEMBL9707997

CCCc1cccc(CCC)c1OS(=O)(=O)N(C(=O)O)c1c(OC)cc(OC)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.36
PPARA Q07869 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.35
GFER P55789 1/20 0.35
MTNR1A P48039 3/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
ELANE P08246 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
SCHEMBL9138808 0.80 LPAR1 (0.41)
SCHEMBL9452049 0.76 TSHR (0.36) TAS2R14PPARANPC1RAB9ATSHR
SCHEMBL9137934 0.75 CA12 (0.42) LMNACA12CA1CA2CA14
SCHEMBL9138047 0.75 LPAR1 (0.40) TAS2R14LMNACA1CA2
SCHEMBL9138348 0.75 LPAR1 (0.41) TAS2R14
SCHEMBL9140177 0.74 KDM4E (0.41) LMNACA1CA2TSHR
SCHEMBL9452053 0.74 PPARA (0.33) PPARA
SCHEMBL9452045 0.68 PPARA (0.40) PPARAMAPK1NPC1RAB9ACA12
SCHEMBL9452054 0.68 PPARA (0.40) PPARA
SCHEMBL9139774 0.67 LPAR1 (0.40) MEN1KMT2A

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
WO-1992007826-A1 OXYSULFONYL CARBAMATES WARNER-LAMBERT COMPANY (US) 1992-05-14 WO disclosed