SCHEMBL8892678

SCHEMBL8892678

CC1(c2ccc(OCc3cnccn3)cc2)OC(=O)N(Nc2ccccc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.36
MMP1 P03956 1/20 0.36
ADAM17 P78536 1/20 0.36
CYP2C9 P11712 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
NAMPT P43490 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL8893376 0.82 SIRT1 (0.41) SIRT1MMP1ADAM17MEN1KMT2A
SCHEMBL8466140 0.81 L3MBTL1 (0.42) SIRT1MEN1KMT2AMAPK1RAB9A
SCHEMBL9545815 0.81 MAOB (0.42) SIRT1MMP1ADAM17MEN1KMT2A
SCHEMBL8903156 0.81 L3MBTL1 (0.46) SIRT1CYP2C9CYP1A2CYP2C19MEN1
SCHEMBL9202236 0.80 SIRT1 (0.37) SIRT1MMP1ADAM17MEN1KMT2A
SCHEMBL8893717 0.80 SIRT1 (0.36) SIRT1ADAM17MMP2MMP13ALDH1A1
SCHEMBL8902452 0.79 SIRT1 (0.39) SIRT1MMP1ADAM17MEN1KMT2A
SCHEMBL9207805 0.79 RAB9A (0.40) SIRT1MEN1KMT2AMMP2MMP13
SCHEMBL8892271 0.78 LMNA (0.52) RAB9AALDH1A1GAAMAPT
SCHEMBL8902040 0.78 SIRT1 (0.38) SIRT1ADAM17CYP2C9CYP1A2CYP3A4

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
WO-1997038995-A1 FUNGICIDAL OXAZOLIDINEDIONE DERIVATIVES ZENECA LIMITED (GB) 1997-10-23 WO disclosed