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SCHEMBL3846400

SCHEMBL3846400

CCCCCCCN(CCCOc1ccc(SC(C)(CCC)C(=O)O)cc1)c1nn(C)c(=O)n(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.37
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ S1PR1 P21453 3/20 0.34
▸ S1PR3 Q99500 3/20 0.34
▸ S1PR4 O95977 2/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ PLA2G4B P0C869 3/20 0.34
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL3846160 0.90 THRA (0.35) PLA2G4BTHRATHRB
SCHEMBL3285973 0.85 MAPK14 (0.36) MAPK14TSHRTHRATHRB
SCHEMBL3841339 0.80 THRA (0.36) PLA2G4BTHRATHRB
SCHEMBL3841033 0.80 SMPD1 (0.38) MAPK14TP53TSHRS1PR1S1PR3
SCHEMBL3841106 0.79 THRA (0.38) PLA2G4BTHRATHRB
SCHEMBL3842655 0.76 MAPK14 (0.38) MAPK14TP53TSHRS1PR1S1PR3
SCHEMBL3291240 0.76 PPARA (0.35) THRATHRB
SCHEMBL3284699 0.74 THRA (0.36) PLA2G4BTHRATHRB
SCHEMBL3844912 0.71 PPARG (0.35) PLA2G4B
SCHEMBL3844829 0.70 SMPD1 (0.39) MAPK14TP53TSHRS1PR1S1PR3

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
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 — — EP claimed