SCHEMBL7180786

SCHEMBL7180786

O=CNC(N1CCCCC1)C(Cl)(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31

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
Triforine SCHEMBL8064620 0.90 ALDH1A1 (0.34) ALDH1A1MAPTHPGDCYP1A2CYP2C19
Triforine SCHEMBL23278 0.90 ALDH1A1 (0.34) ALDH1A1MAPTHPGDCYP1A2CYP2C19
SCHEMBL9652015 0.81 POLB (0.31) ALDH1A1HPGDCYP1A2CYP2C19
Triforine SCHEMBL11829811 0.81 ALDH1A1 (0.39) ALDH1A1MAPTHPGDCYP1A2CYP2C19
SCHEMBL3363797 0.81 POLB (0.45) ALDH1A1MAPTHPGDCYP1A2CYP2C19
Triforine SCHEMBL10335796 0.81 POLB (0.31) ALDH1A1HPGDCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL10987504 0.79 POLB (0.30)
SCHEMBL13406758 0.77 ALDH1A1 (0.31) ALDH1A1MAPT
Cadaverine Tartrate SCHEMBL11856072 0.70 POLB (0.33) ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL5240072 0.68 ADH1B (0.46) ADH1BADH1CADH1A

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-0933349-B1 Method for producing optically active chrysanthemic acid SUMITOMO CHEMICAL CO (JP) 2003-04-09 EP disclosed
US-6268525-B1 REACTING CHRYSANTHEMIC ACID HAVING TRANS ISOMER WITH OPTICALLY ACTIVE AMINE TO OPTICALLY RESOLVE CHRYSANTHEMIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-31 US disclosed
EP-0933349-A1 Method for producing optically active chrysanthemic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-08-04 EP disclosed