SCHEMBL7360779

SCHEMBL7360779

CCCCCCCCOc1ccc2c(c1)C(C(=O)OCCCC)NC(C(=O)O)C2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
S1PR1 P21453 6/20 0.41
S1PR5 Q9H228 6/20 0.41
S1PR3 Q99500 4/20 0.41
PPARG P37231 3/20 0.41
PLA2G4B P0C869 2/20 0.41
PTPN11 Q06124 1/20 0.40
HTR2A P28223 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
SCHEMBL7370924 0.83 PPARG (0.42) TP53TSHRPPARGHTR2A
SCHEMBL16766773 0.74 PPARG (0.42) TP53TSHRPPARGHTR2A
SCHEMBL8727428 0.72 ESR1 (0.39) TSHR
SCHEMBL6878776 0.70 MEN1 (0.53) TP53TSHRS1PR1S1PR5S1PR3
SCHEMBL9695400 0.68 FFAR1 (0.54) TP53TSHRS1PR1S1PR5S1PR3
SCHEMBL7604793 0.68 FFAR1 (0.54) TP53TSHRS1PR1S1PR5S1PR3
SCHEMBL9441318 0.68 FFAR1 (0.54) TP53TSHRS1PR1S1PR5S1PR3
SCHEMBL15085356 0.68 BRD4 (0.44) PPARGHTR2A
SCHEMBL9251201 0.67 L3MBTL1 (0.37) TP53TSHRPPARGHTR2A
SCHEMBL9251200 0.67 L3MBTL1 (0.37) TP53TSHRPPARGHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed