SCHEMBL8067722

SCHEMBL8067722

CCOC(=O)c1cc(I)c(F)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA7 P43166 5/20 0.53
CA9 Q16790 5/20 0.53
CA14 Q9ULX7 5/20 0.53
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
TSHR P16473 2/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PTPN11 Q06124 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 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
SCHEMBL3308625 0.86 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL3872040 0.83 TSHR (0.43) CA12CA1CA2CA7CA9
SCHEMBL12685916 0.83 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL322149 0.80 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL23767907 0.80 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL28451530 0.79 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL2860082 0.78 LMNA (0.56) TSHRHSP90AA1KMT2AKDM4ESMN1; SMN2
SCHEMBL2534149 0.77 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL7592447 0.77 TDP1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL6139965 0.77 CA12 (0.51) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613468-B1 Substituted salicylic acids for the treatment of autoimmune diseases PHARMACIA & UPJOHN AB (SE) 2000-07-12 EP disclosed
CN-1042631-C Novel substituted salicylic acids KABI PHARMACIA AB (SE) 1999-03-24 CN disclosed
US-5556855-A TREATMENT OF AUTOIMMUNE DISEASES PHARMACIA AB (SE) 1996-09-17 US disclosed
US-5403930-A Chemical intermediate for drugs used in autoimmune diseases PHARMACIA AB (SE) 1995-04-04 US disclosed
EP-0613468-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS Pharmacia & Upjohn Aktiebolag (SE) 1994-09-07 EP disclosed
CN-1088918-A The salicylic acid compounds of new replacement KABI PHARMACIA AB (SE) 1994-07-06 CN disclosed
US-5302718-A Used for treating autoimmune diseases KABI PHARMACIA AB (SE) 1994-04-12 US disclosed
WO-1993010094-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS KABI PHARMACIA AB (SE) 1993-05-27 WO disclosed