SCHEMBL29951102

SCHEMBL29951102

O=Cc1cccc(NC(=O)OCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.68
ENPP2 Q13822 3/20 0.61
POLB P06746 1/20 0.56
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
KDR P35968 1/20 0.51
ROCK2 O75116 1/20 0.50

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
SCHEMBL6209756 1.00 MGLL (0.68) MGLLENPP2POLBRAB9ANPC1
SCHEMBL27575159 0.88 MGLL (0.64) MGLLENPP2POLBRAB9ANPC1
SCHEMBL11386273 0.84 MGLL (0.62) MGLLENPP2POLBRAB9ANPC1
SCHEMBL7353406 0.84 RAB9A (0.71) MGLLENPP2POLBRAB9ANPC1
SCHEMBL4089550 0.84 POLB (0.64) MGLLENPP2POLBRAB9ANPC1
SCHEMBL7286901 0.83 RAB9A (0.65) MGLLRAB9ANPC1TSHRSMN1; SMN2
SCHEMBL29956428 0.83
SCHEMBL29956794 0.83 MGLL (0.56) MGLLENPP2POLBRAB9ANPC1
SCHEMBL29957457 0.83 POLB (0.59) MGLLENPP2POLBRAB9ANPC1
SCHEMBL8984657 0.82 MGLL (0.76) MGLLENPP2POLBRAB9ANPC1

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