SCHEMBL20056683

SCHEMBL20056683

CC(C)(C)OC(=O)N1CCC[C@H]1CCSCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.46
FKBP1A P62942 3/20 0.44
ATM Q13315 2/20 0.44
OPRD1 P41143 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM1A O60341 1/20 0.42
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
STS P08842 1/20 0.41
PRMT5 O14744 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL13034261 0.90 KLK7 (0.46) KLK7FKBP1AOPRD1MEN1KMT2A
SCHEMBL2689602 0.90 KLK7 (0.49) KLK7FKBP1AOPRD1MEN1KMT2A
SCHEMBL3046705 0.90 KLK7 (0.49) KLK7FKBP1AOPRD1MEN1KMT2A
SCHEMBL13086596 0.90 KLK7 (0.49) KLK7FKBP1AOPRD1MEN1KMT2A
SCHEMBL13086758 0.87 MEN1 (0.50) KLK7FKBP1AOPRD1MEN1KMT2A
SCHEMBL13086595 0.86 MEN1 (0.49) KLK7FKBP1AOPRD1MEN1KMT2A
SCHEMBL13086597 0.85 MEN1 (0.48) KLK7FKBP1AOPRD1MEN1KMT2A
SCHEMBL6012084 0.85 MEN1 (0.48) KLK7FKBP1AOPRD1MEN1KMT2A
SCHEMBL13086353 0.85 MEN1 (0.48) KLK7FKBP1AOPRD1MEN1KMT2A
SCHEMBL7528184 0.85 FKBP1A (0.48) KLK7FKBP1AOPRD1MEN1KMT2A

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-1883627-B1 BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2018-04-18 EP disclosed