SCHEMBL8211650

SCHEMBL8211650

CCc1cccc(C(N)=O)c1Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.54
SIRT2 Q8IXJ6 2/20 0.46
SIRT1 Q96EB6 1/20 0.46
PARP10 Q53GL7 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
CHEK2 O96017 1/20 0.41
CLCN2 P51788 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BRD4 O60885 2/20 0.40
PARP1 P09874 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL28784289 0.87 CTNNB1 (0.51) CTNNB1SIRT2SIRT1PARP10SMN1; SMN2
SCHEMBL8954755 0.87 CLCN2 (0.50) CTNNB1CLCN2LMNAMAPTNPSR1
SCHEMBL15334091 0.81 HPGD (0.41) SIRT2SMN1; SMN2MEN1KMT2APARP1
SCHEMBL11584465 0.81 LTA4H (0.47) KMT2ALMNAMAPTNPSR1KDM4E
SCHEMBL17075501 0.80 PARP1 (0.44) PARP10SMN1; SMN2MEN1KMT2APARP1
SCHEMBL288797 0.79 TSHR (0.45) PARP10MEN1KMT2APARP1NR1I2
SCHEMBL5049439 0.79 CTNNB1 (0.59) CTNNB1SIRT2SIRT1PARP10SMN1; SMN2
SCHEMBL8211656 0.78 CTNNB1 (0.68) CTNNB1SIRT2SIRT1PARP10SMN1; SMN2
SCHEMBL27991301 0.78 CTNNB1 (0.57) CTNNB1SIRT2SIRT1PARP10SMN1; SMN2
SCHEMBL27872615 0.78 CTNNB1 (0.57) CTNNB1SIRT2SIRT1PARP10SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
US-6093735-A TREATMENT OF TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-07-25 US disclosed