SCHEMBL22683282

SCHEMBL22683282

O=C(O)N1CCC(=Cc2ccc(CCO)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.50
OGA O60502 5/20 0.48
SRD5A2 P31213 6/20 0.47
HDAC2 Q92769 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
PPARA Q07869 1/20 0.37
S1PR1 P21453 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LSS P48449 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL14720576 0.88 SRD5A1 (0.52) SRD5A1OGASRD5A2HDAC2LSS
SCHEMBL14720706 0.84 SRD5A1 (0.51) SRD5A1OGASRD5A2HDAC2LSS
SCHEMBL14722165 0.84 SRD5A1 (0.51) SRD5A1OGASRD5A2HDAC2LSS
SCHEMBL18992022 0.80 OGA (0.45) SRD5A1OGASRD5A2HDAC2CYP4F2
SCHEMBL14720788 0.78 SRD5A2 (0.48) SRD5A1SRD5A2
SCHEMBL19994676 0.78 SRD5A2 (0.48) SRD5A1OGASRD5A2
SCHEMBL17750085 0.78 LSS (0.51) SRD5A1SRD5A2LSS
SCHEMBL14722734 0.78 OGA (0.52) SRD5A1OGASRD5A2CYP4F2CYP4A11
SCHEMBL14722320 0.76 SRD5A1 (0.42) SRD5A1OGASRD5A2
SCHEMBL14720404 0.75 ALDH1A1 (0.46) SRD5A1SRD5A2HDAC2

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-3389658-B1 GLYCOSIDASE INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-11-25 EP disclosed