SCHEMBL8889787

SCHEMBL8889787

COc1cccc(-c2cccc(C(F)(F)F)n2)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 1/20 0.43
MITF O75030 1/20 0.43
STAT3 P40763 1/20 0.43
HTT P42858 1/20 0.43
TGFBR1 P36897 2/20 0.42
ALPL P05186 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8895248 0.81 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL8889745 0.77 HCRTR1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL8381593 0.73 CA12 (0.74) CA12CA1CA2CA7CA9
SCHEMBL8890918 0.72 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL425534 0.72 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL19207002 0.71 HCRTR1 (0.47) HCRTR1TGFBR1
2,6-Dimethoxybenzoic Acid SCHEMBL149926 0.71 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL30536599 0.70 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL4002652 0.70 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL16040055 0.70 CA12 (0.62) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997012883-A1 INTERMEDIATES AND PROCESS FOR THE PREPARATION OF SUBSTITUTED SALICYLIC ACID DERIVATIVES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-04-10 WO disclosed