SCHEMBL9019942

SCHEMBL9019942

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
EGLN2 Q96KS0 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
P4HB P07237 1/20 0.46
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 3/20 0.44
PARP1 P09874 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
GAA P10253 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
SCHEMBL9433043 0.87 KDM4E (0.49) KDM4EEGLN2CA12CA1CA2
SCHEMBL28296777 0.84 KDM4E (0.46) KDM4EEGLN2CA12CA1CA2
SCHEMBL9334916 0.83 NPC1 (0.49) KDM4EALDH1A1RAB9ANPC1PARP1
SCHEMBL9334924 0.83 NPC1 (0.49) KDM4EALDH1A1RAB9ANPC1PARP1
SCHEMBL9432528 0.81 UNG (0.51) KDM4EP4HBALDH1A1POLBMEN1
SCHEMBL9019950 0.81 UNG (0.51) KDM4EP4HBALDH1A1POLBMEN1
SCHEMBL2812357 0.81 SMN1; SMN2 (0.54) KDM4EALDH1A1RAB9ANPC1POLB
SCHEMBL2997336 0.81 SMN1; SMN2 (0.54) KDM4EALDH1A1RAB9ANPC1POLB
SCHEMBL2812354 0.81 SMN1; SMN2 (0.54) KDM4EALDH1A1RAB9ANPC1POLB
SCHEMBL9019998 0.80 CA1 (0.52) KDM4ECA12CA1CA2CA6

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