SCHEMBL9019950

SCHEMBL9019950

COC=C(C(=O)OC)c1cccc(C=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.51
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
P4HB P07237 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SRC P12931 1/20 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
SCHEMBL9432528 1.00 UNG (0.51) UNGGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9432532 0.88 UNG (0.54) UNGGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9019942 0.81 KDM4E (0.46) ALDH1A1POLBP4HBKDM4ESMN1; SMN2
SCHEMBL9334916 0.80 NPC1 (0.49) ALDH1A1POLBKDM4ESMN1; SMN2MEN1
SCHEMBL9334924 0.80 NPC1 (0.49) ALDH1A1POLBKDM4ESMN1; SMN2MEN1
SCHEMBL2997336 0.79 SMN1; SMN2 (0.54) ALDH1A1POLBKDM4ESMN1; SMN2TDP1
SCHEMBL2812357 0.79 SMN1; SMN2 (0.54) ALDH1A1POLBKDM4ESMN1; SMN2TDP1
SCHEMBL2812354 0.79 SMN1; SMN2 (0.54) ALDH1A1POLBKDM4ESMN1; SMN2TDP1
SCHEMBL29677467 0.77 ALDH1A1 (0.61) UNGGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL47068 0.77 ALDH1A1 (0.61) UNGGRIN2DGRIN3BGRIN1GRIN2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422597-B1 Derivatives of phenylacetic acid and fungicides containing them BASF AG (DE) 1996-07-24 EP disclosed
US-5286750-A For crops or ornamental plants BASF AKTIENGESELLSCHAFT (DE) 1994-02-15 US disclosed
EP-0422597-A2 Derivatives of phenylacetic acid and fungicides containing them BASF Aktiengesellschaft (DE) 1991-04-17 EP disclosed