SCHEMBL5750878

SCHEMBL5750878

O=C(O)CCc1cnc(OCC2CCCC2)c(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 13/20 0.67
THRB P10828 13/20 0.67
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 1/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
FFAR1 O14842 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
FFAR4 Q5NUL3 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
SCHEMBL27699017 0.92 THRA (0.57) THRATHRBLMNACTSLCTSS
SCHEMBL3685248 0.85 THRA (0.49) THRATHRBLMNAPDCD1CD274
SCHEMBL4896502 0.81 THRB (1.00) THRATHRBLMNAESR1NR3C1
SCHEMBL3684301 0.78 THRA (0.71) THRATHRBFFAR1FFAR4
SCHEMBL3680505 0.76 CCNC (0.49) THRATHRBCTSLCTSSCTSK
SCHEMBL5075337 0.75 THRA (0.54) THRATHRBLMNAFFAR1P4HTM
SCHEMBL5750875 0.74 THRA (0.43) THRATHRBFFAR1CCNA2CDK2
SCHEMBL440247 0.73 XDH (0.41) THRATHRBCCNA2CDK2CCNA1
SCHEMBL28853251 0.72 CNR1 (0.40) THRATHRB
SCHEMBL3059752 0.70 THRA (0.61) THRATHRBLMNAFFAR1FFAR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed