SCHEMBL7944131

SCHEMBL7944131

CCCCCCc1c(C(=O)O)cc(S(=O)(=O)O)c(CCCCCC)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.43
CISD1 Q9NZ45 6/20 0.43
KAT8 Q9H7Z6 4/20 0.43
PPARA Q07869 3/20 0.43
RARB P10826 2/20 0.42
PPARG P37231 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
RARA P10276 1/20 0.39
RARG P13631 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
SCHEMBL7945497 1.00 S1PR3 (0.43) S1PR3CISD1KAT8PPARARARB
SCHEMBL7945437 0.94 CISD1 (0.40) S1PR3CISD1KAT8PPARACA12
SCHEMBL11744816 0.89 S1PR3 (0.43) S1PR3CISD1KAT8PPARARARB
SCHEMBL14989188 0.85 KAT8 (0.51) KAT8PPARARARBPPARGBID
SCHEMBL14989185 0.85 KAT8 (0.51) KAT8PPARARARBPPARGBID
SCHEMBL14989293 0.85 KAT8 (0.51) KAT8PPARARARBPPARGBID
SCHEMBL14989183 0.85 KAT8 (0.51) KAT8PPARARARBPPARGBID
SCHEMBL14989184 0.85 KAT8 (0.51) KAT8PPARARARBPPARGBID
SCHEMBL14989165 0.85 KAT8 (0.51) KAT8PPARARARBPPARGBID
SCHEMBL3905079 0.84 ALDH1A1 (0.36) CISD1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191192-B1 URETHRAL CATHETERS, GLOVES TOYO BOSEKI KABUSHIKI KAISHA (JP) 2001-02-20 US disclosed
EP-0887373-A2 Antibacterial polymeric moldings Toyo Boseki Kabushiki Kaisha (JP) 1998-12-30 EP disclosed