SCHEMBL20052932

SCHEMBL20052932

OC1CCOC(c2cccc(Cl)c2C2CO2)C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
LDHA P00338 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL27927404 0.83 HTR2A (0.39) OPRL1HTR2AHTR2CHTR2BLDHA
SCHEMBL24970171 0.80 MEN1 (0.34) OPRM1OPRL1HTR2AHTR2CHTR2B
SCHEMBL21850006 0.80 SLC6A2 (0.32)
SCHEMBL20052998 0.80 CTSB (0.32)
SCHEMBL20052995 0.80 POLL (0.37) HTR2AHTR2CHTR2BADRA2AADRA1A
SCHEMBL20053013 0.77
SCHEMBL4317902 0.72 SMN1; SMN2 (0.43) OPRL1HTR2AHTR2CHTR2BLDHA
SCHEMBL4319533 0.72 SMN1; SMN2 (0.43) OPRL1HTR2AHTR2CHTR2BLDHA
SCHEMBL17158612 0.70 TAAR1 (0.43)
SCHEMBL17158510 0.70 MAP3K14 (0.41) HTR2AHTR2CHTR2B

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-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed