SCHEMBL9367885

SCHEMBL9367885

CC(=O)c1cc(F)ccc1Oc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.51
PTGER2 P43116 1/20 0.51
SCN8A Q9UQD0 11/20 0.50
SCN10A Q9Y5Y9 11/20 0.50
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
PNLIP P16233 2/20 0.46
GAA P10253 1/20 0.43

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
SCHEMBL19524223 0.90 SCN8A (0.56) PTGER4PTGER2SCN8ASCN10ASMN1; SMN2
SCHEMBL19524169 0.85 SCN8A (0.60) SCN8ASCN10A
SCHEMBL5310179 0.85 HTR2A (0.54) SCN8ASCN10APNLIP
SCHEMBL19524218 0.84 SCN8A (0.62) PTGER4PTGER2SCN8ASCN10AALDH1A1
SCHEMBL19524204 0.84 SCN8A (0.53) SCN8ASCN10AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4445272 0.84 PTGER4 (0.59) PTGER4PTGER2SCN8ASCN10APNLIP
SCHEMBL24981345 0.83 GRM5 (0.46) SCN8ASCN10AALDH1A1HTTSMN1; SMN2
SCHEMBL43492 0.80 PIN1 (0.49) ALDH1A1HTTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL5756844 0.79 CFD (0.51) ALDH1A1HTTSMN1; SMN2CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL8640823 0.78 BACE1 (0.46) PTGER4PTGER2ALDH1A1GAA

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-0365915-B1 Substituted 2-aminothiazoles BAYER AG (DE) 1994-04-20 EP disclosed
US-4956370-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-09-11 US disclosed
EP-0365915-A2 Substituted 2-aminothiazoles BAYER AG (DE) 1990-05-02 EP disclosed