SCHEMBL16951609

SCHEMBL16951609

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.34
▸ MAPT P10636 3/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PDE5A O76074 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ POLB P06746 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HPGD P15428 2/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ NQO1 P15559 1/20 0.30

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
SCHEMBL16951939 0.86 TAAR1 (0.31) PDE5A
SCHEMBL16958707 0.81 ALDH1A1 (0.38) MAPTL3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL16953099 0.81 TRPA1 (0.35) SRCMAPTRXFP1L3MBTL1NR3C1
SCHEMBL16954738 0.80 MAPT (0.32) MAPTMAPK1LMNASMN1; SMN2TP53
SCHEMBL16952684 0.80 GABRA1 (0.32) MAPTL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL16958927 0.80 GAA (0.35) L3MBTL1MAPK1POLBLMNATP53
SCHEMBL16956422 0.77 NQO1 (0.42) MAPTALDH1A1LMNATP53TDP1
SCHEMBL16953257 0.77 HTT (0.39) ALDH1A1POLBSMN1; SMN2TP53
SCHEMBL16958130 0.76 SRC (0.33) SRCMAPTRXFP1PDE5ANR3C1
SCHEMBL16952366 0.76 MAPT (0.33) SRCMAPTRXFP1NR3C1PGR

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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