SCHEMBL16959252

SCHEMBL16959252

[CH2]C(C)c1cc(OCC)ccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ ATM Q13315 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NQO1 P15559 1/20 0.38
▸ PDK2 Q15119 2/20 0.36
▸ PDE2A O00408 2/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ S1PR1 P21453 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
SCHEMBL16952904 0.88 PDE2A (0.42) L3MBTL1ATMLMNAMAPTPDE2A
SCHEMBL16958881 0.87 PDE2A (0.42) LMNAPDE2ANPC1
SCHEMBL16960189 0.84 CYP2D6 (0.45) MAPTMEN1NPC1KMT2A
SCHEMBL16951200 0.83 L3MBTL1 (0.43) L3MBTL1ATMLMNAMAPTNQO1
SCHEMBL16954497 0.81 CYP2D6 (0.47) LMNAMAPTNQO1HIF1AKDM4E
SCHEMBL16954851 0.80 MEN1 (0.41) L3MBTL1ATMLMNAMAPTNQO1
SCHEMBL16953880 0.80 NQO1 (0.42) MAPTNQO1AKR1C3AKR1C2HIF1A
SCHEMBL16955606 0.78 NQO1 (0.41) L3MBTL1ATMMAPTNQO1AKR1C3
SCHEMBL10034992 0.78 PPARD (0.44) L3MBTL1ATMLMNAMAPTNQO1
SCHEMBL16961214 0.78 PDE2A (0.38) PDE2A

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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