SCHEMBL20122403

SCHEMBL20122403

Cc1oc(=O)oc1COC(=O)SC[C@H](NC(=O)C(C)(C)SC(=O)c1cccs1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ FOLH1 Q04609 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ ADAM17 P78536 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ TSHR P16473 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
SCHEMBL20122425 0.85 FOLH1 (0.32) CHRM1TBXA2RADRA1AFOLH1
SCHEMBL20122511 0.81 MAPT (0.34) MAPTADAM17KMT2AATMTSHR
SCHEMBL20122512 0.81 MAPT (0.34) MAPTADAM17KMT2AATMTSHR
SCHEMBL20122399 0.80 — —
SCHEMBL20122473 0.80 MAPT (0.46) MAPTADAM17KMT2AATMTSHR
SCHEMBL20122469 0.79 CHRM1 (0.34) CHRM1TBXA2RADRA1AFOLH1ATM
SCHEMBL20122467 0.79 TACR1 (0.36) CHRM1TBXA2RADRA1AFOLH1ATM
SCHEMBL20122510 0.79 HPGD (0.40) MAPTADAM17KMT2AATM
SCHEMBL20122450 0.78 ACE (0.37) CHRM1TBXA2RADRA1AFOLH1
SCHEMBL20122464 0.78 — —

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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