SCHEMBL9019998

SCHEMBL9019998

COC=C(C(=O)OC)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.52
CA2 P00918 7/20 0.52
CA12 O43570 5/20 0.52
CA7 P43166 5/20 0.52
CA9 Q16790 5/20 0.52
CA14 Q9ULX7 5/20 0.52
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 3/20 0.47
ESR1 P03372 3/20 0.47
CYP3A4 P08684 2/20 0.47
HIF1A Q16665 2/20 0.47
MEN1 O00255 1/20 0.47
NR3C1 P04150 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL9432434 1.00 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL9019902 0.85 CA1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL8653469 0.85 ALDH1A1 (0.53) MAPTLMNAGAAMEN1ALOX12
SCHEMBL9432567 0.85 CA1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL9432437 0.85 MAPT (0.61) CA1CA2CA12CA7CA9
SCHEMBL9336394 0.84 SMN1; SMN2 (0.44) CA1CA2MAPTGAAMEN1
SCHEMBL9336389 0.84 SMN1; SMN2 (0.44) CA1CA2MAPTGAAMEN1
SCHEMBL9338252 0.84 SMN1; SMN2 (0.55) CA1CA2MAPTLMNAGAA
SCHEMBL9820165 0.84 SMN1; SMN2 (0.55) CA1CA2MAPTLMNAGAA
SCHEMBL9338251 0.84 SMN1; SMN2 (0.55) CA1CA2MAPTLMNAGAA

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