SCHEMBL9190837

SCHEMBL9190837

CSCCC(NCCSSCCNC(CCSC)C(N)=O)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
LMNA P02545 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA2 P00918 2/20 0.35
CYP2C9 P11712 1/20 0.35
CA1 P00915 1/20 0.35
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
PGGT1B P53609 1/20 0.35

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
SCHEMBL9191480 0.86 RNPEP (0.39) TSHRCA12CA9RNPEPLMNA
SCHEMBL7645602 0.83 EPHX1 (0.40) TSHRCA12CA9CA2CA1
SCHEMBL11497983 0.83 EPHX1 (0.40) TSHRCA12CA9CA2CA1
SCHEMBL13360907 0.79 CA12 (0.38) TSHRCA12CA9LMNACA2
SCHEMBL12247962 0.79 CA12 (0.38) TSHRCA12CA9LMNACA2
SCHEMBL28558305 0.79 TSHR (0.41) TSHRCA12CA9RNPEPLMNA
SCHEMBL11130899 0.79 TSHR (0.41) TSHRCA12CA9RNPEPLMNA
SCHEMBL7288159 0.79 TSHR (0.41) TSHRCA12CA9RNPEPLMNA
SCHEMBL3106026 0.77 CA12 (0.38) TSHRCA12CA9RNPEPLMNA
SCHEMBL8375418 0.77 TSHR (0.36) TSHRCA12CA9RNPEPLMNA

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-0577473-B1 Reducing cosmetic composition for the permanent deformation of hair based on a mercaptoalkylamino-amide and process for the permanent deformation of hair OREAL (FR) 1995-12-20 EP claimed