SCHEMBL5144397

SCHEMBL5144397

CC(C)Cc1cccc(C(=O)O)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.50
CASP7 P55210 1/20 0.50
CASP6 P55212 1/20 0.50
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
HMGB1 P09429 1/20 0.44
MMP2 P08253 1/20 0.42
CLCN2 P51788 1/20 0.41
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA2 P47869 1/20 0.40
LMNA P02545 2/20 0.40
ABCB11 O95342 1/20 0.40
PTGS1 P23219 1/20 0.40
ADORA1 P30542 1/20 0.40
PTGS2 P35354 1/20 0.40
FOLH1 Q04609 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7766574 0.89 KMT2A (0.45) GABRA1GABRB2LMNAABCB11PTGS1
SCHEMBL8984850 0.88 G6PD (0.49) G6PDCASP7CASP6HMGB1MMP2
SCHEMBL7635318 0.83 G6PD (0.51) G6PDCASP7CASP6HMGB1MMP2
SCHEMBL808482 0.82 G6PD (0.57) G6PDCASP7CASP6GABRA1GABRB2
SCHEMBL30762619 0.82 G6PD (0.57) G6PDCASP7CASP6GABRA1GABRB2
SCHEMBL157592 0.82 FOLH1 (0.53) GABRA1GABRB2HMGB1CLCN2LMNA
SCHEMBL901261 0.81 GABRA1 (0.50) GABRA1GABRB2HMGB1CLCN2LMNA
SCHEMBL39111 0.81 GABRA1 (0.66) GABRA1GABRB2HMGB1MMP2CLCN2
SCHEMBL361119 0.81 GABRA1 (0.50) GABRA1GABRB2HMGB1CLCN2LMNA
SCHEMBL17799517 0.80 FOLH1 (0.52) GABRA1GABRB2CLCN2LMNAFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309301-A4 MEDICATED WRAP HYSON MORTON I (US) 2007-04-04 EP claimed
EP-1309301-A1 MEDICATED WRAP Hyson, Morton I. (US) 2003-05-14 EP claimed
EP-0981275-B1 MOLLUSCICIDES SANGOSSE UK S A DE (GB) 2002-07-31 EP claimed
WO-2001080797-A1 MEDICATED WRAP HYSON MORTON I (US) 2001-11-01 WO claimed
CN-107074800-B substituted bicyclic heteroaryl compounds as RXR agonists 康内克斯生命科学私人有限公司 2019-11-12 CN disclosed
EP-1713450-A1 RAPIDLY DISSOLVING FILM FOR DELIVERY OF AN ACTIVE AGENT Corium International, Inc. (US) 2006-10-25 EP disclosed
EP-1699500-A1 CROSSLINKED HYALURONIC ACID COMPOSITIONS FOR TISSUE AUGMENTATION Anika Therapeutics Inc. (US) 2006-09-13 EP disclosed
WO-2005074894-A1 RAPIDLY DISSOLVING FILM FOR DELIVERY OF AN ACTIVE AGENT CORIUM INTERNATIONAL (US) 2005-08-18 WO disclosed
WO-2005067994-A1 CROSSLINKED HYALURONIC ACID COMPOSITIONS FOR TISSUE AUGMENTATION ANIKA THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed
EP-1513561-A2 SKIN ADHESIVE FOR CUSHIONS AND WOUND DRESSINGS Corium International (US) 2005-03-16 EP disclosed
WO-2004093786-A2 COVALENT AND NON-COVALENT CROSSLINKING OF HYDROPHILIC POLYMERS AND ADHESIVE COMPOSITIONS PREPARED THEREWITH CORIUM INTERNATIONAL (US) 2004-11-04 WO disclosed
WO-2003099344-A2 SKIN ADHESIVE FOR CUSHIONS AND WOUND DRESSINGS CORIUM INTERNATIONAL (US) 2003-12-04 WO disclosed
EP-1296650-A2 METHODS AND COMPOSITIONS FOR TREATING PAIN OF THE MUCOUS MEMBRANE EpiCept Corporation (US) 2003-04-02 EP disclosed
WO-2002000195-A2 METHODS AND COMPOSITIONS FOR TREATING PAIN OF THE MUCOUS MEMBRANE EPICEPT CORPORATION (US) 2002-01-03 WO disclosed