SCHEMBL11498515

SCHEMBL11498515

N#C[CH]c1cc(Oc2ccc(F)cc2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 4/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SOS1 Q07889 3/20 0.35
▸ HSPB1 P04792 1/20 0.35
▸ AR P10275 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ SLC22A12 Q96S37 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
SCHEMBL11499601 0.89 LTA4H (0.39) ARALDH1A1L3MBTL1LMNAMEN1
SCHEMBL11500352 0.86 FFAR4 (0.38) NFE2L2ARALDH1A1KDM4EHPGD
SCHEMBL10550570 0.75 ALDH1A1 (0.47) NFE2L2CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL10549001 0.74 ALDH1A1 (0.38) NFE2L2CYP1A2CYP3A4CYP2C19HSPB1
SCHEMBL14437173 0.69 AR (0.52) ARSLC22A12
SCHEMBL6289867 0.68 SOS1 (0.58) NFE2L2CYP3A4SOS1HSPB1ALDH1A1
SCHEMBL351854 0.68 SOS1 (0.58) NFE2L2CYP3A4SOS1HSPB1ALDH1A1
SCHEMBL6290683 0.68 SOS1 (0.58) NFE2L2CYP3A4SOS1HSPB1ALDH1A1
SCHEMBL523438 0.68 CYP19A1 (0.54) CYP1A2CYP3A4CYP2C19ARALDH1A1
SCHEMBL10905892 0.68 SCN9A (0.40) CYP1A2CYP3A4CYP2C19SOS1HSPB1

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
EP-0001566-B1 CYCLOBUTANECARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES BAYER AG (DE) 1980-11-26 — — EP disclosed
EP-0001566-A2 Cyclobutanecarboxylic acid derivatives, processes for their preparation and their use as insecticides BAYER AG (DE) 1979-05-02 — — EP disclosed
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