SCHEMBL7094341

SCHEMBL7094341

CCCCCCCCCCCCc1ccccc1.O=C(O)CC(C(=O)O)S(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.52
S1PR1 P21453 5/20 0.52
S1PR3 Q99500 4/20 0.48
S1PR4 O95977 2/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HPGD P15428 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KCNH2 Q12809 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
RARB P10826 4/20 0.43
RARA P10276 1/20 0.43
MTOR P42345 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
SCHEMBL4371014 0.99 S1PR2 (0.54) S1PR2S1PR1S1PR3S1PR4ALDH1A1
Phenol SCHEMBL28320186 0.95 S1PR2 (0.48) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL9430465 0.89 CYSLTR2 (0.49) S1PR2S1PR1PPARGPPARA
SCHEMBL30753414 0.85 BID (0.50) MAPTPPARGPPARA
SCHEMBL8762736 0.85 BID (0.50) MAPTPPARGPPARA
Dodecane SCHEMBL27762128 0.84 GPR84 (0.48) ALDH1A1KMT2AMEN1PPARGPPARA
Octane SCHEMBL27438093 0.84 GPR84 (0.48) ALDH1A1KMT2AMEN1PPARGPPARA
Tridecane SCHEMBL27760783 0.84 GPR84 (0.48) ALDH1A1KMT2AMEN1PPARGPPARA
SCHEMBL18140772 0.84 CYSLTR2 (0.44) S1PR2S1PR1PPARGPPARA
SCHEMBL6717695 0.84 CYSLTR2 (0.44) S1PR2S1PR1PPARGPPARA

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
US-6635118-B2 Aqueous cleaning of polymer apply equipment INTERNATIONAL BUSINESS MACHINES CORPORATION 2003-10-21 US disclosed
JP-2003113329-A HYDROPHOBILIZED CATIONIC DYE AND HEAT TRANSFER INK RIBBON SONY CORP 2003-04-18 JP disclosed
US-20020094939-A1 Aqueous cleaning of polymer apply equipment INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2002-07-18 US disclosed
US-5888308-A Process for removing residue from screening masks with alkaline solution INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1999-03-30 US disclosed