SCHEMBL8997597

SCHEMBL8997597

CCSC1=C(C(=O)c2ccc(S(C)(=O)=O)c(OC)c2Cl)C(=O)C2CCC1C2

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 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
SCHEMBL8997608 0.90
SCHEMBL8997655 0.85 SLC6A9 (0.31) ALDH1A1
SCHEMBL8997669 0.85 L3MBTL1 (0.33) ALDH1A1PKM
SCHEMBL8997610 0.75 SLC6A9 (0.32) ALDH1A1
SCHEMBL23061257 0.73
SCHEMBL30230098 0.69 SMN1; SMN2 (0.36) ALDH1A1
SCHEMBL9174235 0.69 L3MBTL1 (0.38) ALDH1A1
SCHEMBL8607786 0.68 STAT3 (0.45) ALDH1A1
SCHEMBL8493465 0.68 SLC6A9 (0.35) ALDH1A1
SCHEMBL6595822 0.67 NR1H4 (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
US-5536703-A THIO SUBSTITUTED COMPOUNDS SANDOZ LTD. (CH) 1996-07-16 US disclosed