SCHEMBL16952904

SCHEMBL16952904

[CH2]C(C)c1cc(OC(F)(F)F)ccc1OCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.42
▸ S1PR1 P21453 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KCNB1 Q14721 1/20 0.40
▸ TACR1 P25103 1/20 0.38
▸ GRM7 Q14831 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ GPR3 P46089 1/20 0.36
▸ HCRTR1 O43613 9/20 0.35
▸ HCRTR2 O43614 9/20 0.35
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 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
SCHEMBL16959252 0.88 L3MBTL1 (0.40) PDE2AS1PR1L3MBTL1LMNAMAPT
SCHEMBL16958881 0.87 PDE2A (0.42) PDE2ALMNAGPR3
SCHEMBL16954392 0.81 CYP2D6 (0.47) LMNAMAPTATM
SCHEMBL16950575 0.80 PDE2A (0.43) PDE2AL3MBTL1KCNB1GPR3PPARD
SCHEMBL16953615 0.80 S1PR1 (0.43) PDE2AS1PR1L3MBTL1KCNB1TACR1
SCHEMBL16958279 0.78 CYP1A2 (0.50) PDE2AL3MBTL1LMNAMAPTATM
SCHEMBL16960189 0.78 CYP2D6 (0.45) MAPT
SCHEMBL16954411 0.78 PDE2A (0.41) PDE2AL3MBTL1LMNAGPR3PPARD
SCHEMBL16959893 0.78 PDE2A (0.49) PDE2AGPR3
SCHEMBL16953616 0.78 PPARD (0.47) S1PR1L3MBTL1TACR1LMNAMAPT

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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