SCHEMBL8181736

SCHEMBL8181736

Cc1c2ccccc2c(CC2OC(=O)NC2=O)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
RAB9A P51151 1/20 0.34
BRD4 O60885 1/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
PTGER3 P43115 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALOX15 P16050 1/20 0.31
DAO P14920 1/20 0.31
DDO Q99489 1/20 0.31

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
SCHEMBL8183051 0.73 ALDH1A1 (0.49) CA2CYP1A2CYP2D6PTGER3HSD17B10
SCHEMBL8186819 0.71 AR (0.39) CA2SMN1; SMN2CYP1A2HIF1APTGER3
SCHEMBL8182940 0.69 MAOB (0.54) CA2SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL8189523 0.68 HTR2A (0.41) CA2RAB9ACYP3A4CYP1A2HIF1A
SCHEMBL8210168 0.67 CA2 (0.39) CA2PTGER3DAO
SCHEMBL8172477 0.67 TSHR (0.42) TP53ALDH1A1HPGDKDM4EMEN1
SCHEMBL8182984 0.66 KDM4E (0.50) TP53SMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL8188584 0.66 NQO1 (0.35) HSD17B10ALDH1A1HPGDKDM4EMEN1
SCHEMBL8181635 0.66 CA2 (0.41) CA2BRD4MEN1KMT2ADAO
SCHEMBL12746661 0.66 CA2 (0.41) CA2BRD4CYP3A4CYP1A2CYP2D6

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-2000018745-A1 OXAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed