SCHEMBL11224311

SCHEMBL11224311

O=C(O)CNC(=O)CC=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
APEX1 P27695 2/20 0.37
ALOX15 P16050 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
GPR18 Q14330 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
EGLN1 Q9GZT9 2/20 0.37

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
SCHEMBL2586857 0.76 FAAH (0.39) FAAHALDH1A1MEN1KMT2AMAPT
SCHEMBL2807522 0.73 EGLN1 (0.46) FAAHALDH1A1MEN1KMT2AMAPT
SCHEMBL27999002 0.73 ALDH1A1 (0.41) FAAHALDH1A1MEN1KMT2AMAPT
SCHEMBL4968451 0.73 FAAH (0.37) FAAHALDH1A1MEN1KMT2AMAPT
SCHEMBL6471153 0.71 LDHA (0.47) FAAHALDH1A1MEN1KMT2AMAPT
SCHEMBL111805 0.70
SCHEMBL8519439 0.70
SCHEMBL3051875 0.69
SCHEMBL4817231 0.69
Ammonia Solution, Strong SCHEMBL10596466 0.68

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-0086756-A2 Dermatological compositions based on mercaptopropionylamidoacetic thiol esters Farmatis S.r.l. (IT) 1983-08-24 EP disclosed