SCHEMBL29957362

SCHEMBL29957362

OB(O)c1c(OC2CCCC2)ccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.40
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR5 Q9H228 1/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MPI P34949 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MTNR1A P48039 1/20 0.34

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
SCHEMBL29235283 0.76 LMNA (0.48) MCHR1RAB9AL3MBTL1S1PR5PDE4A
SCHEMBL28419263 0.76 NCEH1 (0.44) MCHR1MEN1RAB9AKMT2AL3MBTL1
SCHEMBL29235529 0.76 S1PR5 (0.45) MCHR1RAB9AS1PR5MAPTALDH1A1
SCHEMBL28425009 0.75 TAS1R3 (0.47) MEN1KMT2AS1PR5PDE4APDE4B
SCHEMBL29953325 0.75 RIPK1 (0.39) MCHR1MEN1RAB9AKMT2AL3MBTL1
SCHEMBL1004416 0.74 MAPT (0.58) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL16789532 0.74 MCHR1 (0.54) MCHR1MEN1RAB9AKMT2AL3MBTL1
SCHEMBL7059946 0.74 MCHR1 (0.54) MCHR1MEN1RAB9AKMT2AL3MBTL1
SCHEMBL29517404 0.74 MAPT (0.58) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL29954934 0.73 MAPT (0.38) MEN1RAB9AKMT2AL3MBTL1MAPT

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed