SCHEMBL28019282

SCHEMBL28019282

CCCCCOc1cccc(C(=O)CC)c1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.69
THRA P10827 1/20 0.69
SMPD1 P17405 3/20 0.68
KMT2A Q03164 1/20 0.65
PLA2G4B P0C869 3/20 0.63
NR1H4 Q96RI1 2/20 0.60
PLA2G2A P14555 1/20 0.54
TSHR P16473 1/20 0.54
PTPN11 Q06124 1/20 0.52

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
SCHEMBL28019302 0.98 THRB (0.71) THRBTHRASMPD1KMT2APLA2G4B
SCHEMBL15474092 0.95 THRB (0.63) THRBTHRASMPD1KMT2APLA2G4B
SCHEMBL27812355 0.90 KMT2A (0.73) THRBTHRASMPD1KMT2APLA2G4B
SCHEMBL27626399 0.89 KMT2A (0.59) THRBTHRASMPD1KMT2APLA2G4B
SCHEMBL27586299 0.88 THRA (0.78) THRBTHRASMPD1KMT2APLA2G4B
SCHEMBL8085066 0.88 THRB (0.66) THRBTHRASMPD1KMT2APLA2G4B
SCHEMBL14176561 0.88 THRB (0.59) THRBTHRASMPD1KMT2APLA2G4B
SCHEMBL27979295 0.88 KMT2A (0.56) THRBTHRASMPD1KMT2APLA2G4B
SCHEMBL2455314 0.87 KMT2A (0.84) THRBTHRASMPD1KMT2APLA2G4B
SCHEMBL5312197 0.87 THRB (0.68) THRBTHRASMPD1KMT2APLA2G4B

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
CN-104822666-B Terazololine-one compound and application thereof 住友化学株式会社 2016-09-21 CN disclosed
CN-104822666-A Tetrazolinone compound and use thereof SUMITOMO CHEMICAL CO 2015-08-05 CN disclosed