SCHEMBL16958130

SCHEMBL16958130

[CH2]C(CO)c1cc(C)ccc1CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ HTT P42858 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ PGR P06401 1/20 0.31

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
SCHEMBL16960900 0.82 TRPA1 (0.38) MAPTTRPA1LMNAKMT2ACYP1A2
SCHEMBL16952366 0.82 MAPT (0.33) SRCMAPTRXFP1NR3C1PGR
SCHEMBL16956297 0.81 L3MBTL1 (0.33) MAPTRXFP1LMNACYP1A2CYP2C9
SCHEMBL16955596 0.81 PSEN1 (0.37) MAPTTRPA1LMNAHTTSMN1; SMN2
SCHEMBL16958607 0.81 PSEN1 (0.35) LMNASMN1; SMN2
SCHEMBL16953099 0.79 TRPA1 (0.35) SRCMAPTRXFP1TRPA1LMNA
SCHEMBL16961562 0.78 NQO1 (0.41) MAPTLMNAKMT2ACYP1A2MEN1
SCHEMBL16951208 0.78 ADRA2A (0.41) ADRA1AHSD17B10
SCHEMBL16957264 0.77 PDE2A (0.42) CYP1A2CYP2C9CYP2C19
SCHEMBL16958073 0.77 CYP2A6 (0.38) PGR

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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