SCHEMBL4435720

SCHEMBL4435720

CC(C)(C)Nc1c(CCOS(=O)(=O)O)ccc(O)c1CO

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 1/20 0.34
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8089924 0.80 KLF10 (0.34) PMP22LMNAHIF1A
Alcohol SCHEMBL17337935 0.74 LMNA (0.34) PMP22LMNAHPGDHIF1AHSD17B10
SCHEMBL30254390 0.71 PMP22 (0.40) PMP22LMNAHPGDHIF1AHSD17B10
Water SCHEMBL28944323 0.70 PMP22 (0.39) PMP22LMNAHPGDHIF1AHSD17B10
Sulfuric Acid SCHEMBL21825446 0.65 PMP22 (0.50) PMP22CA1CA2CA9LMNA
Sulfuric Acid SCHEMBL2524101 0.65 PMP22 (0.50) PMP22CA1CA2CA9LMNA
SCHEMBL5075684 0.61 CA1 (0.38) PMP22CA12CA1CA2CA7
SCHEMBL20838237 0.60 APP (0.54) PMP22CA1CA2LMNAHIF1A
SCHEMBL594098 0.59 ADRB2 (0.44) PMP22LMNAHPGDHIF1AHSD17B10
SCHEMBL30169480 0.59 ADRB2 (0.44) PMP22LMNAHPGDHIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3155128-A2 METHODS FOR CHARACTERIZING ALTERNATIVELY OR ABERRANTLY SPLICED MRNA ISOFORMS Erasmus University Medical Center Rotterdam (NL) 2017-04-19 EP disclosed
WO-2015190921-A2 METHODS FOR CHARACTERIZING ALTERNATIVELY OR ABERRANTLY SPLICED MRNA ISOFORMS ERASMUS UNIVERSITY MEDICAL CENTER ROTTERDAM (NL) 2015-12-17 WO disclosed
EP-1613266-A4 METHODS OF TREATING PAIN AND COMPOSITIONS FOR USE THEREFOR THERAQUEST BIOSCIENCES LLC (US) 2009-05-06 EP disclosed
EP-1613266-A2 METHODS OF TREATING PAIN AND COMPOSITIONS FOR USE THEREFOR Theraquest Biosciences, LLC (US) 2006-01-11 EP disclosed
WO-2004091540-A2 METHODS OF TREATING PAIN AND COMPOSITIONS FOR USE THEREFOR THERAQUEST BIOSCIENCES, LLC (US) 2004-10-28 WO disclosed