SCHEMBL29950787

SCHEMBL29950787

OB(O)c1c(F)ccc(OCc2ccccc2)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.50
ENPP2 Q13822 1/20 0.46
MRGPRX4 Q96LA9 3/20 0.44
KDM1A O60341 2/20 0.44
MAPK14 Q16539 1/20 0.43
CHRM4 P08173 1/20 0.42
CHRM3 P20309 1/20 0.42
CLCN2 P51788 1/20 0.42
NPC1 O15118 2/20 0.42
PTGER1 P34995 3/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C9 P11712 1/20 0.40
SLC6A4 P31645 1/20 0.39
PLAU P00749 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL257953 0.85 LIPE (0.53) LIPEENPP2MRGPRX4KDM1ANPC1
SCHEMBL29957681 0.82 LIPE (0.53) LIPEENPP2MRGPRX4KDM1ANPC1
SCHEMBL29634807 0.80 LIPE (0.58) LIPEENPP2MRGPRX4KDM1ANPC1
SCHEMBL18190569 0.80 LIPE (0.58) LIPEENPP2MRGPRX4KDM1ANPC1
SCHEMBL16668301 0.78 TSHR (0.39) KDM1AL3MBTL1
SCHEMBL29954273 0.78 TSHR (0.39) KDM1AL3MBTL1
SCHEMBL9946037 0.77 KDM1A (0.50) LIPEENPP2MRGPRX4KDM1ANPC1
SCHEMBL29954677 0.76 CLCN2 (0.38) ENPP2CLCN2
SCHEMBL28798230 0.74 LIPE (0.58) LIPEENPP2MRGPRX4NPC1NFKB1
SCHEMBL2842035 0.74 MAPK14 (0.48) MRGPRX4KDM1AMAPK14NPC1PTGER1

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