SCHEMBL20122425

SCHEMBL20122425

Cc1oc(=O)oc1COC(=O)SC[C@H](NC(=O)C(C)(C)SC(=O)OCc1oc(=O)oc1C)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.32
▸ CHRM1 P11229 1/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ ADRA1A P35348 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
SCHEMBL20122464 0.93 — —
SCHEMBL20122399 0.93 — —
SCHEMBL20122427 0.91 CYP1A2 (0.33) —
SCHEMBL20122424 0.90 CYP1A2 (0.30) —
SCHEMBL20122426 0.89 — —
SCHEMBL20122450 0.88 ACE (0.37) FOLH1CHRM1TBXA2RADRA1A
SCHEMBL20122412 0.88 KDM4E (0.33) FOLH1CHRM1TBXA2RADRA1A
SCHEMBL20122548 0.87 — —
SCHEMBL20122469 0.87 CHRM1 (0.34) FOLH1CHRM1TBXA2RADRA1A
SCHEMBL20122467 0.87 TACR1 (0.36) FOLH1CHRM1TBXA2RADRA1A

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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