SCHEMBL9019938

SCHEMBL9019938

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PARP1 P09874 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HIF1A Q16665 2/20 0.45
KCNK3 O14649 2/20 0.45
KCNK9 Q9NPC2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KCNH2 Q12809 1/20 0.45
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL27346857 0.86 SMN1; SMN2 (0.46) HDAC8HDAC6PARP1SMN1; SMN2KCNK3
SCHEMBL6932532 0.85 HDAC8 (0.44) HDAC8HDAC6PARP1SMN1; SMN2KCNK3
SCHEMBL9658314 0.84 HIF1A (0.55) PARP1HIF1AMEN1KMT2ANPC1
SCHEMBL9019977 0.84 HIF1A (0.55) PARP1HIF1AMEN1KMT2ANPC1
SCHEMBL9660191 0.83 CES2 (0.57) PARP1SMN1; SMN2HIF1AKCNK3KCNK9
SCHEMBL9660188 0.83 CES2 (0.57) PARP1SMN1; SMN2HIF1AKCNK3KCNK9
SCHEMBL27446293 0.81 TSHR (0.50) SMN1; SMN2HIF1AMEN1KMT2ARAB9A
SCHEMBL7457347 0.81 TSHR (0.50) SMN1; SMN2HIF1AMEN1KMT2ARAB9A
SCHEMBL29172895 0.80 TDP1 (0.52) HDAC8HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL28845729 0.80 TDP1 (0.52) HDAC8HDAC6SMN1; SMN2MEN1KMT2A

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