SCHEMBL8766568

SCHEMBL8766568

CCCCCCOc1cccc([O])c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
SMPD1 P17405 3/20 0.57
PLA2G4B P0C869 4/20 0.55
GGPS1 O95749 2/20 0.54
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
LTA4H P09960 1/20 0.51
KMT2A Q03164 1/20 0.50
CYSLTR2 Q9NS75 3/20 0.49
CYSLTR1 Q9Y271 3/20 0.49
NR5A1 Q13285 1/20 0.49

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
SCHEMBL1665036 1.00 TSHR (0.65) TSHRSMPD1PLA2G4BGGPS1THRA
SCHEMBL9717879 1.00 TSHR (0.65) TSHRSMPD1PLA2G4BGGPS1THRA
SCHEMBL2089702 1.00 TSHR (0.65) TSHRSMPD1PLA2G4BGGPS1THRA
SCHEMBL7297045 0.98 TSHR (0.62) TSHRSMPD1PLA2G4BGGPS1THRA
SCHEMBL1805409 0.93 TSHR (0.54) TSHRSMPD1PLA2G4BTHRBLTA4H
SCHEMBL8765681 0.91 KMT2A (0.61) TSHRSMPD1PLA2G4BGGPS1KMT2A
SCHEMBL1804312 0.87 KMT2A (0.59) TSHRSMPD1KMT2ACYSLTR1
SCHEMBL4208924 0.87 TSHR (0.76) TSHRSMPD1PLA2G4BGGPS1THRA
SCHEMBL6677146 0.87 TSHR (0.76) TSHRSMPD1PLA2G4BGGPS1THRA
SCHEMBL17138169 0.87 TSHR (0.76) TSHRSMPD1PLA2G4BGGPS1THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104892542-B The 2 carbonyl thiazoles and 2 carbonyl oxazoles of anti-inflammatory 埃维克辛公司 2018-01-26 CN disclosed
US-5639776-A CROP PESTICIDE; NONPHYTOTOXIC, KIDNEY BEANS, ORANGES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-17 US disclosed
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed
EP-0751130-A1 4,5-DIHYDROPYRAZOLE-5-THIONE DERIVATIVES AND ACARICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-01-02 EP disclosed
US-5455355-A Postemergence, preemergence herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-10-03 US disclosed
EP-0468690-B1 Pyrimidine derivatives SUMITOMO CHEMICAL CO (JP) 1995-05-31 EP disclosed
US-5298632-A Herbicidal pyrimidine compounds, compositions containing the same and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-29 US disclosed
US-5232897-A Herbicidal pyrimidine compounds, compositions containing the same and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-03 US disclosed
EP-0549344-A1 Triazine derivatives as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-30 EP disclosed
US-5135563-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-08-04 US disclosed
US-5129938-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-14 US disclosed
EP-0469711-A1 Pyrimidine derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-02-05 EP disclosed
EP-0468690-A1 Pyrimidine derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-01-29 EP disclosed
EP-0457505-A2 Pyrimidine derivatives and their use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-11-21 EP disclosed