SCHEMBL20122511

SCHEMBL20122511

CC(=O)OCOC(=O)SC[C@H](NC(=O)C(C)(C)SC(=O)c1cccs1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ MME P08473 1/20 0.31
▸ ACE P12821 1/20 0.31
▸ ACE2 Q9BYF1 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CYP2C9 P11712 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
SCHEMBL20122512 0.93 MAPT (0.34) MAPTADAM17KMT2AATMALDH1A1
SCHEMBL20122510 0.90 HPGD (0.40) MAPTADAM17KMT2AATMALDH1A1
SCHEMBL20122473 0.86 MAPT (0.46) MAPTADAM17KMT2AATMALDH1A1
SCHEMBL20122446 0.81 — —
SCHEMBL20122403 0.81 CHRM1 (0.32) MAPTADAM17KMT2AATMTSHR
SCHEMBL20122508 0.80 — —
SCHEMBL20122454 0.79 MAPT (0.45) MAPTADAM17KMT2AATMALDH1A1
SCHEMBL20122504 0.76 CPB2 (0.30) —
SCHEMBL20122531 0.76 KMT2A (0.38) MAPTADAM17KMT2AATMALDH1A1
SCHEMBL20122402 0.75 ATM (0.36) ATM

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-9963428-B1 Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2018-05-08 — — US disclosed
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