SCHEMBL27699017

SCHEMBL27699017

O=C(O)CCCCc1cnc(OCC2CCCC2)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.57
THRB P10828 4/20 0.57
FFAR4 Q5NUL3 5/20 0.39
TBXAS1 P24557 7/20 0.39
S1PR1 P21453 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL5750878 0.92 THRA (0.67) THRATHRBFFAR4CTSLCTSS
SCHEMBL3685248 0.80 THRA (0.49) THRATHRBLMNA
SCHEMBL27679978 0.77 THRA (0.45) THRATHRBFFAR4TBXAS1
SCHEMBL4896502 0.73 THRB (1.00) THRATHRBLMNA
SCHEMBL5750875 0.71 THRA (0.43) THRATHRB
SCHEMBL440247 0.71 XDH (0.41) THRATHRB
SCHEMBL3684301 0.70 THRA (0.71) THRATHRBFFAR4S1PR1
SCHEMBL28853251 0.69 CNR1 (0.40) THRATHRB
SCHEMBL3680505 0.69 CCNC (0.49) THRATHRBFFAR4CTSLCTSS
SCHEMBL5075337 0.68 THRA (0.54) THRATHRBFFAR4LMNA

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
CN-101031539-A Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORP (JP) 2007-09-05 CN disclosed