SCHEMBL9019902

SCHEMBL9019902

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 3/20 0.41
SRD5A2 P31213 2/20 0.40
RXRA P19793 1/20 0.40
CA12 O43570 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
TPMT P51580 1/20 0.39

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
SCHEMBL9432567 1.00 CA1 (0.47) CA1CA2TP53TSHRSMN1; SMN2
SCHEMBL2812357 0.87 SMN1; SMN2 (0.54) TSHRSMN1; SMN2KDM4ETDP1L3MBTL1
SCHEMBL2812354 0.87 SMN1; SMN2 (0.54) TSHRSMN1; SMN2KDM4ETDP1L3MBTL1
SCHEMBL2997336 0.87 SMN1; SMN2 (0.54) TSHRSMN1; SMN2KDM4ETDP1L3MBTL1
SCHEMBL9019998 0.85 CA1 (0.52) CA1CA2TP53SMN1; SMN2KDM4E
SCHEMBL8653469 0.85 ALDH1A1 (0.53) SMN1; SMN2KDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL9432434 0.85 CA1 (0.52) CA1CA2TP53SMN1; SMN2KDM4E
SCHEMBL9432571 0.85 CA1 (0.50) CA1CA2TP53TSHRSMN1; SMN2
SCHEMBL9820165 0.84 SMN1; SMN2 (0.55) CA1CA2TSHRSMN1; SMN2KDM4E
SCHEMBL9338252 0.84 SMN1; SMN2 (0.55) CA1CA2TSHRSMN1; SMN2KDM4E

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