SCHEMBL20901574

SCHEMBL20901574

O=C(CCc1ccccc1)NC1CCSC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.58

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
SCHEMBL12265746 0.79 USP2 (0.57) ALDH1A1POLB
SCHEMBL13054605 0.78 HDAC2 (0.51) ALDH1A1
SCHEMBL30597592 0.77 USP2 (0.59) POLB
SCHEMBL16126169 0.77 SMN1; SMN2 (0.60) ALDH1A1POLB
SCHEMBL13670239 0.77 ALDH1A1 (0.58) ALDH1A1
SCHEMBL804838 0.76 USP2 (0.66) POLB
SCHEMBL4180735 0.76 EPHX2 (0.69)
SCHEMBL6254027 0.75 EPHX2 (0.61)
SCHEMBL8735482 0.75 MEN1 (0.61) POLB
SCHEMBL16579917 0.75 MEN1 (0.61) POLB

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-3470416-A1 6-ACETYLMORPHINE ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE Alere San Diego, Inc. (US) 2019-04-17 EP disclosed