SCHEMBL7779150

SCHEMBL7779150

COc1c(Cl)cccc1C1CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ACHE P22303 2/20 0.34
PTPN1 P18031 1/20 0.34
MAPK1 P28482 2/20 0.34
CYP19A1 P11511 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRA1A P35348 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
ALOX5 P09917 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 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
SCHEMBL7783854 0.80 HPGD (0.36) ACHEPTPN1MAPK1CYP19A1HTR2A
SCHEMBL7786361 0.80 CYP19A1 (0.49) ACHEPTPN1MAPK1CYP19A1KDM4E
SCHEMBL7786242 0.79 ACHE (0.38) MEN1KMT2AACHEPTPN1MAPK1
SCHEMBL7786261 0.79 SLC6A2 (0.36) ACHEPTPN1MAPK1CYP19A1KDM4E
SCHEMBL28038757 0.78 MEN1 (0.42) MEN1KMT2AHTR2CADRA1ATAS1R3
SCHEMBL7055337 0.76 ALDH1A1 (0.42) HTR2AHTR2CHTR2BALDH1A1TAS1R3
SCHEMBL1023049 0.75 HTR2A (0.50) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL7783869 0.75 CYP2D6 (0.39) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL2446603 0.75 MEN1 (0.34) MEN1KMT2AACHEPTPN1MAPK1
SCHEMBL938227 0.74 TAAR1 (0.47) KMT2AHTR2AHTR2CHTR2BADRA1A

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-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP disclosed