SCHEMBL7920744

SCHEMBL7920744

CCCCCCCCCCCCC(CCC)S(=O)(=O)NCCSc1cc(F)c(OCC(=O)O)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 1/20 0.33
TSHR P16473 1/20 0.33
PLA2G4B P0C869 1/20 0.32
THRA P10827 3/20 0.32
THRB P10828 3/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
CASP3 P42574 1/20 0.31
FABP4 P15090 5/20 0.31
FABP5 Q01469 5/20 0.31

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
SCHEMBL7923998 0.92 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7920959 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7920567 0.75 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL8440201 0.73 MMP1 (0.33) MMP1MMP2MMP9MMP3CYSLTR2
SCHEMBL7919297 0.72 ALDH1A1 (0.84) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7920941 0.72 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7911917 0.72 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7911808 0.72 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7919051 0.72 ALDH1A1 (0.72) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7911814 0.71 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811375-B1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA LTD (JP) 2001-01-03 EP disclosed
US-5955505-A TREATING NERVE DEGENERATIVE DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 1999-09-21 US disclosed
EP-0811375-A1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA, LTD. (JP) 1997-12-10 EP disclosed
EP-0469901-B1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1994-10-19 EP disclosed
US-5189211-A Thromboxane A2 antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 1993-02-23 US disclosed
EP-0469901-A1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1992-02-05 EP disclosed