SCHEMBL16953374

SCHEMBL16953374

[CH2]C(C)c1cc(OCCCC)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.41
▸ PPARG P37231 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ REN P00797 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL16955797 0.81 PLA2G2A (0.40) L3MBTL1
SCHEMBL10199723 0.80 ALDH1A1 (0.40) FAAHRENL3MBTL1SCN9AKDM4E
SCHEMBL16958184 0.80 FAAH (0.36) FAAH
SCHEMBL16952974 0.80 HTT (0.44) PPARGPPARAPTGESALOX5KDM4E
SCHEMBL16959276 0.80 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL17056171 0.79 FAAH (0.44) FAAHPPARGPPARAPTGESALOX5
SCHEMBL16955495 0.78 HTT (0.50) KDM4EALDH1A1GAA
SCHEMBL16961044 0.78 FAAH (0.41) FAAHPPARGPPARAPTGESALOX5
SCHEMBL16951224 0.78 AHR (0.50) FAAHPPARGPPARAALOX5L3MBTL1
SCHEMBL16952328 0.78 RXRA (0.38) L3MBTL1ALDH1A1

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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