SCHEMBL8714447

SCHEMBL8714447

CC(Cc1ccccc1OCc1ccccc1)C(N)C(O)c1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.49
SLC1A5 Q15758 1/20 0.46
CFD P00746 3/20 0.46
TPSB2 P20231 3/20 0.46
F11 P03951 2/20 0.46
CARM1 Q86X55 2/20 0.43
PRMT1 Q99873 2/20 0.43
ENPP2 Q13822 1/20 0.43
PPIA P62937 1/20 0.42
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
DHFR P00374 1/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 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
SCHEMBL8714445 1.00 ADRB3 (0.49) ADRB3SLC1A5CFDTPSB2F11
SCHEMBL8716922 0.89 CFD (0.47) CFDTPSB2F11PTGER1PTGER4
SCHEMBL8716924 0.89 CFD (0.47) CFDTPSB2F11PTGER1PTGER4
SCHEMBL8720148 0.85 ADRB3 (0.44) ADRB3
SCHEMBL8720151 0.85 ADRB3 (0.44) ADRB3
SCHEMBL8716324 0.84 MAOB (0.49) ADRB3
SCHEMBL8716321 0.84 MAOB (0.49) ADRB3
SCHEMBL8713862 0.83 PNMT (0.50) ADRB3
SCHEMBL8719065 0.81 HDAC8 (0.43) ADRB3
SCHEMBL8719067 0.81 HDAC8 (0.43) ADRB3

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
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed