SCHEMBL8549755

SCHEMBL8549755

CO/N=C1\CCS(=O)(=O)c2c(F)cc(C(=O)O)c(C)c21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.33
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8549760 1.00 CTSL (0.33) CTSLALDH1A1KMT2A
SCHEMBL8870363 0.88 SPR (0.36) ALDH1A1KMT2A
SCHEMBL8870369 0.88 SPR (0.36) ALDH1A1KMT2A
SCHEMBL8548842 0.86 KDM4E (0.39) CTSLALDH1A1KMT2A
SCHEMBL8544781 0.86 POLB (0.32)
SCHEMBL8544784 0.86 POLB (0.32)
SCHEMBL8549360 0.79 SPR (0.31)
SCHEMBL8549357 0.79 SPR (0.31)
SCHEMBL8546672 0.78 TP53 (0.32)
SCHEMBL8546668 0.78 TP53 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0818455-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-01-14 EP disclosed