SCHEMBL7432017

SCHEMBL7432017

CCOC(=O)C1(NCC(=O)OC(C)(C)C)Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
GHSR Q92847 1/20 0.40
PPID Q08752 1/20 0.39
OPRM1 P35372 3/20 0.37
SLC22A1 O15245 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
PTPRC P08575 2/20 0.36
AVPR2 P30518 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CXCR5 P32302 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
SCHEMBL4151262 0.81 GAA (0.34) PPIDOPRM1SMN1; SMN2KDM4EALDH1A1
SCHEMBL5836128 0.79 GHSR (0.48) GHSRPTPRCAVPR2CXCR5
SCHEMBL7433540 0.79 MEN1 (0.33) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL7437988 0.79 SMN1; SMN2 (0.34) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL260291 0.78 BRD4 (0.43) BRD4GHSROPRM1SLC22A1SLC6A4
SCHEMBL7432520 0.78 ALDH1A1 (0.32) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL12992703 0.77 BRD4 (0.49) BRD4OPRM1SLC22A1SLC6A4ADRA1A
SCHEMBL3633908 0.76 BRD4 (0.46) BRD4GHSROPRM1SLC22A1SLC6A4
SCHEMBL5835047 0.73 GHSR (0.46) GHSRSMN1; SMN2ALDH1A1TDP1
SCHEMBL7411019 0.72 CTSL (0.46) TDP1

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-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed