SCHEMBL6525943

SCHEMBL6525943

CCCCCCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.64
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KAT8 Q9H7Z6 4/20 0.47
PPARA Q07869 3/20 0.47
PPARG P37231 2/20 0.44
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
RARB P10826 3/20 0.43
RARA P10276 1/20 0.43
RARG P13631 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
SCHEMBL3680212 0.83 S1PR3 (0.49) S1PR3KDM4EALDH1A1HPGDBID
SCHEMBL31513533 0.83 S1PR3 (0.49) S1PR3KDM4EALDH1A1HPGDBID
SCHEMBL11035965 0.82 MEN1 (0.63) S1PR3KDM4EALDH1A1HPGDKAT8
SCHEMBL14882946 0.81 S1PR3 (0.47) S1PR3KDM4EALDH1A1HPGDBID
SCHEMBL10798632 0.81 ALDH1A1 (0.49) S1PR3KDM4EALDH1A1HSD17B10TSHR
Sulfosalicylic SCHEMBL9644619 0.81 KDM4E (0.54) S1PR3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2252252 0.79 S1PR3 (0.46) S1PR3KDM4EALDH1A1HPGDTSHR
SCHEMBL2243909 0.79 CA2 (0.52) S1PR3KDM4EALDH1A1HPGDRARB
SCHEMBL2246809 0.79 S1PR3 (0.46) S1PR3KDM4EALDH1A1HPGDTSHR
SCHEMBL12406523 0.79 S1PR3 (0.49) S1PR3KDM4EALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020004578-A1 Polyester compositions containing polar chain terminatos SHELBY MARCUS DAVID (US) 2002-01-10 US claimed
EP-1051655-B1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2005-09-28 EP disclosed
EP-1051655-A4 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2003-03-19 EP disclosed
US-20020004578-A1 Polyester compositions containing polar chain terminatos SHELBY MARCUS DAVID (US) 2002-01-10 US disclosed
US-20010016731-A1 Methods and apparatus for accelerated orthokeratology DEVORE DALE (US) 2001-08-23 US disclosed
US-6161544-A Methods for accelerated orthokeratology KERATOFORM, INC. (US) 2000-12-19 US disclosed
EP-1051655-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY Ista Pharmaceuticals, Inc. (US) 2000-11-15 EP disclosed
WO-1999039238-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY KERATOFORM, INC. (US) 1999-08-05 WO disclosed
US-5644017-A SOLVENT RESISTANCE, FLAME RESISTANCE, MOLDING MATERIALS THE DOW CHEMICAL COMPANY (US) 1997-07-01 US disclosed