SCHEMBL8790729

SCHEMBL8790729

[O]c1cccc(CCCCF)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.40
▸ TAAR1 Q96RJ0 3/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ IGF1R P08069 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ LPL P06858 2/20 0.36
▸ LIPG Q9Y5X9 2/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL19640340 0.85 TAAR1 (0.42) TAAR1DRD2SLC6A4SLC6A3MAOA
SCHEMBL5544462 0.83 IGF1R (0.52) MGLLSLC6A3MAOAIGF1RALOX15
SCHEMBL5537546 0.82 MAPT (0.52) MGLLMAOAIGF1RALOX15HDAC1
SCHEMBL5542132 0.82 MAPT (0.52) MGLLMAOAIGF1RALOX15HDAC1
SCHEMBL4276383 0.80 LPL (0.56) LPLLIPG
SCHEMBL5542870 0.79 HTR2A (0.48) MGLLSLC6A3MAOAIGF1RALOX15
SCHEMBL6270970 0.78 LPL (0.57) LPLLIPG
SCHEMBL10406817 0.78 LPL (0.57) LPLLIPG
SCHEMBL3031829 0.78 MGLL (0.39) MGLLIGF1RALOX15LPLLIPG
SCHEMBL9435711 0.78 LPL (0.57) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639776-A CROP PESTICIDE; NONPHYTOTOXIC, KIDNEY BEANS, ORANGES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-17 — — US 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
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