SCHEMBL18362178

SCHEMBL18362178

CCCCOc1cccc2c1ccn2CCS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.44
▸ MCL1 Q07820 2/20 0.43
▸ SLC2A1 P11166 1/20 0.43
▸ PPARG P37231 7/20 0.43
▸ PPARA Q07869 7/20 0.43
▸ BAD Q92934 1/20 0.43
▸ PPARD Q03181 3/20 0.42
▸ GRM2 Q14416 1/20 0.42
▸ BCHE P06276 1/20 0.40

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
SCHEMBL20337898 0.81 HTR6 (0.48) HTR6MCL1BCHE
SCHEMBL18362160 0.81 HTR6 (0.48) HTR6MCL1PPARGPPARAPPARD
SCHEMBL20655557 0.76 HTR6 (0.46) HTR6MCL1PPARGPPARAPPARD
SCHEMBL20348538 0.76 HTR2C (0.51) HTR6MCL1
SCHEMBL18069184 0.75 HTR6 (0.69) HTR6MCL1PPARGPPARAPPARD
SCHEMBL18362180 0.74 HTR2C (0.60) HTR6
SCHEMBL18361805 0.73 PPARG (0.44) MCL1PPARGPPARABADPPARD
SCHEMBL18362172 0.73 LOXL2 (0.42) HTR6MCL1
SCHEMBL12542708 0.73 HTR2C (0.58) HTR6MCL1
SCHEMBL19089432 0.72 RHEB (0.50) HTR6

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-2017003862-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-01-05 — — WO disclosed
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