SCHEMBL9753523

SCHEMBL9753523

CCOc1ccc(C(O)C2CC2(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HPGD P15428 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ACACB O00763 5/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ DUSP3 P51452 1/20 0.37
▸ PTPN5 P54829 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37

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
SCHEMBL9753512 0.84 NQO1 (0.44) NQO1MEN1KMT2AHPGDLMNA
SCHEMBL10357436 0.81 NQO1 (0.44) NQO1MEN1KMT2AHPGDLMNA
SCHEMBL9617380 0.77 HRH3 (0.50) NQO1MEN1KMT2AHPGDLMNA
SCHEMBL10804428 0.76 NQO1 (0.45) NQO1MEN1KMT2AHPGDLMNA
SCHEMBL31489666 0.74 HTR2A (0.40) HTR2AALDH1A1
SCHEMBL10806377 0.73 NQO1 (0.45) NQO1MEN1KMT2AHPGDLMNA
SCHEMBL1351279 0.73 MAOA (0.41) HPGDLMNATSHRTDP1
SCHEMBL13558759 0.72 NQO1 (0.64) NQO1MEN1KMT2AL3MBTL1CNR2
SCHEMBL11603750 0.72 NQO1 (0.64) NQO1MEN1KMT2AL3MBTL1CNR2
SCHEMBL9114461 0.72 NQO1 (0.64) NQO1MEN1KMT2ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991007380-A1 ARTHROPODICIDES DUNLENA PTY. LTD. (AU) 1991-05-30 — — WO disclosed
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