SCHEMBL16953474

SCHEMBL16953474

C=Cc1cccc(OCCC)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ CHRM2 P08172 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36

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
SCHEMBL16951354 0.86 L3MBTL1 (0.42) KMT2AMEN1HPGDALDH1A1SMN1; SMN2
SCHEMBL16952117 0.85 ALDH1A1 (0.41) HPGDALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL2098846 0.84 HPGD (0.48) MCHR1KMT2AMEN1HPGDALDH1A1
SCHEMBL16952922 0.83 MCHR1 (0.39) MCHR1KMT2AMEN1HPGDALDH1A1
SCHEMBL12610716 0.83 ALDH1A1 (0.55) MCHR1KMT2AMEN1HPGDALDH1A1
SCHEMBL16954680 0.83 MCHR1 (0.41) MCHR1KMT2AMEN1HPGDALDH1A1
SCHEMBL16958262 0.81 HTR1B (0.40) MCHR1KMT2AMEN1HPGDALDH1A1
SCHEMBL9310453 0.81 CHRM2 (0.49) MCHR1KMT2AMEN1HPGDALDH1A1
SCHEMBL16963369 0.80 MCHR1 (0.39) MCHR1KMT2AMEN1HPGDALDH1A1
SCHEMBL16952346 0.80 KMT2A (0.39) MCHR1KMT2AMEN1HPGDALDH1A1

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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