SCHEMBL9051883

SCHEMBL9051883

CCOC(=O)c1c(O)cccc1-n1cccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA7 P43166 2/20 0.60
CA9 Q16790 2/20 0.60
CA14 Q9ULX7 2/20 0.60
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
G6PD P11413 1/20 0.43
KMT2A Q03164 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 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
SCHEMBL9318265 0.85 HCRTR1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL9031883 0.82 KMT2A (0.43) CA12CA1CA2CA7CA9
SCHEMBL6609867 0.80 TSHR (0.56) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL9049314 0.79 LMNA (0.51) CA12CA1CA2CA7CA9
SCHEMBL5788019 0.78 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL9342233 0.77 TSHR (0.49) LMNAMAPTALDH1A1KDM4EJAK2
SCHEMBL9474886 0.76 CYP1A2 (0.43) ALDH1A1GAAHCRTR1HCRTR2CYP1A2
SCHEMBL4023196 0.74 RXFP1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL27343976 0.74 ALDH1A1 (0.56) NPC1LMNAMAPTALDH1A1KDM4E
SCHEMBL27886902 0.73 TSHR (0.46) NPC1RAB9ALMNAALDH1A1KDM4E

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 8 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-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