SCHEMBL9049651

SCHEMBL9049651

COC(=O)c1c(O)cccc1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.69
CA1 P00915 3/20 0.69
CA2 P00918 3/20 0.69
CA7 P43166 3/20 0.69
CA9 Q16790 3/20 0.69
CA14 Q9ULX7 3/20 0.69
HTT P42858 1/20 0.54
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 2/20 0.53
PRKCZ Q05513 1/20 0.53
EGFR P00533 1/20 0.53
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
HSD17B10 Q99714 2/20 0.50

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
SCHEMBL17264239 0.86 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL6710891 0.85 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL6710887 0.84 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL13228930 0.83 HTT (0.62) CA12CA1CA2CA7CA9
SCHEMBL9567431 0.83 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL1519936 0.83 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL4827133 0.83 HTT (0.58) CA12CA1CA2CA7CA9
SCHEMBL69682 0.83 SLC6A3 (0.57) CA12CA1CA2CA7CA9
SCHEMBL31019062 0.83 FGFR1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL4320540 0.82 CA12 (0.72) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0490224-B1 Derivatives of salicylic aldehyde and salicylic acid, sulfphuranalogs thereof, process and intermediates for their preparation BASF AG (DE) 1996-03-13 EP disclosed
US-5362876-A Intermediates for herbicides or plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1994-11-08 US disclosed
EP-0402751-B1 Derivatives of salicylic aldehyde and salicylic acid and sulphur analoges thereof, methodes for preparing them and their use as herbicides and bioregulators BASF AG (DE) 1994-05-04 EP disclosed
US-5308828-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1994-05-03 US disclosed
US-5252695-A Fast switching ferroelectric liquid crystalline polymers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-10-12 US disclosed
US-5185027-A Salicylaldehyde derivatives and salicyclic acid derivatives and their sulfur analogs, and their use as herbicides and bioregulators BASF AKTIENGESELLSCHAFT (DE) 1993-02-09 US disclosed
EP-0490224-A2 Derivatives of salicylic aldehyde and salicylic acid, sulfphuranalogs thereof, process and intermediates for their preparation BASF Aktiengesellschaft (DE) 1992-06-17 EP disclosed
US-5085686-A Plant growth regulator BASF AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
EP-0402751-A1 Derivatives of salicylic aldehyde and salicylic acid and sulphur analoges thereof, methodes for preparing them and their use as herbicides and bioregulators BASF Aktiengesellschaft (DE) 1990-12-19 EP disclosed