SCHEMBL6891702

SCHEMBL6891702

Cc1ccc(S([O])(=O)=O)c(I)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
GFER P55789 1/20 0.35
GAA P10253 3/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
MEP1B Q16820 1/20 0.33
ELANE P08246 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL31717331 0.81 TRPV4 (0.39) ALDH1A1MAPTPOLBHPGDALOX12
SCHEMBL24278496 0.81 ALDH1A1 (0.39) ALDH1A1MAPTPOLBHPGDALOX12
SCHEMBL330673 0.77 ALDH1A1 (0.49) ALDH1A1MAPTPOLBHPGDALOX12
SCHEMBL21962890 0.75 ALDH1A1 (0.46) ALDH1A1MAPTPOLBHPGDALOX12
SCHEMBL6851691 0.74 TRPA1 (0.50) ALDH1A1MAPTHPGDALOX12GAA
SCHEMBL28514985 0.74 LMNA (0.50) ALDH1A1MAPTPOLBCA1CA2
SCHEMBL16712195 0.73 ALDH1A1 (0.49) ALDH1A1MAPTPOLBHPGDGAA
SCHEMBL4049976 0.71 TSHR (0.45) ALDH1A1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL28134701 0.71 LMNA (0.45) ALDH1A1MAPTPOLBHPGDALOX12
SCHEMBL3769067 0.71 CA12 (0.56) ALDH1A1MAPTPOLBHPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629627-B1 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL MYERS SQUIBB CO (US) 2004-05-06 EP disclosed
US-5756832-A REACTING AN ALDHYDE WITH AN ORTHOFORMATE IN THE PRESENCE OF AN ACID CATALYST AND AN ALCOHOL BRISTOL-MYERS SQUIBB CO. (US) 1998-05-26 US disclosed
US-5672599-A DUAL ACTION ANGIOTENSIN CONVERTING ENZYME INHIBITORS AND NEUTRAL ENDOPEPTIDASE INHIBITORS; TREATMENT OF CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-09-30 US disclosed
US-5508272-A SELECTIVE ACE INHIBITORS, HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-16 US disclosed