SCHEMBL20122566

SCHEMBL20122566

Cc1oc(=O)oc1COC(=O)SC(C)(C)C(=O)N[C@@H](CS)C(=O)Oc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ FOLH1 Q04609 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL20122469 0.90 CHRM1 (0.34) CHRM1TBXA2RADRA1AFOLH1ATM
SCHEMBL20122529 0.89 TACR1 (0.37) CHRM1TBXA2RADRA1AFOLH1ATM
SCHEMBL20122452 0.88 FOLH1 (0.32) CHRM1TBXA2RADRA1AFOLH1
SCHEMBL20122412 0.86 KDM4E (0.33) CHRM1TBXA2RADRA1AFOLH1
SCHEMBL20122420 0.86 FOLH1 (0.31) FOLH1
SCHEMBL20122415 0.85 FOLH1 (0.30) FOLH1
SCHEMBL20122421 0.84 — —
SCHEMBL20122453 0.82 — —
SCHEMBL20122491 0.82 ACE (0.36) CHRM1TBXA2RADRA1AFOLH1ATM
SCHEMBL20122390 0.80 — —

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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