Sugi Predict

Sugi Predict / Compounds / SCHEMBL6163876

SCHEMBL6163876

SCHEMBL6163876

COC(=O)C(Cc1ccc(-c2ccsc2)cc1)NC(=O)C(CSC(=O)c1ccccc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.52
▸ HDAC6 Q9UBN7 6/20 0.52
▸ ALDH1A1 P00352 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ BIRC2 Q13490 1/20 0.42

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
SCHEMBL6163882 1.00 HDAC1 (0.52) HDAC1HDAC6ALDH1A1THRBCYP2C9
SCHEMBL6161004 1.00 HDAC1 (0.52) HDAC1HDAC6ALDH1A1THRBCYP2C9
SCHEMBL6160534 0.86 ALDH1A1 (0.44) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL6160013 0.86 ALDH1A1 (0.44) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL6161299 0.86 ALDH1A1 (0.44) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL6163692 0.85 HDAC1 (0.54) HDAC1HDAC6ALDH1A1THRBCYP2C9
SCHEMBL6163863 0.85 HDAC1 (0.54) HDAC1HDAC6ALDH1A1THRBCYP2C9
SCHEMBL6161650 0.85 HDAC1 (0.54) HDAC1HDAC6ALDH1A1THRBCYP2C9
SCHEMBL6162133 0.84 HDAC1 (0.52) HDAC1HDAC6ALDH1A1THRBCYP2C9
SCHEMBL6165543 0.84 MMP12 (0.53) HDAC1HDAC6ALDH1A1THRBCYP2C9

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-0877740-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-03-30 — — EP disclosed