SCHEMBL29950772

SCHEMBL29950772

N[C@@H](C(=O)O)c1ccco1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
POLB P06746 2/20 0.61
PTPN1 P18031 2/20 0.61
PKM P14618 1/20 0.61
PTPN7 P35236 1/20 0.61
BLM P54132 1/20 0.61
ESR2 Q92731 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CYP2C19 P33261 2/20 0.49
ALOX5 P09917 2/20 0.46
MEN1 O00255 3/20 0.46
AGTR1 P30556 1/20 0.46
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
MIF P14174 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL15049401 1.00 KMT2A (0.61) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL2455073 1.00 KMT2A (0.61) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL3972844 0.83 KMT2A (0.50) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL16204244 0.81 KMT2A (0.50) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL10338542 0.80 KMT2A (0.48) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL28489015 0.80 KMT2A (0.50) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL28578684 0.78 POLB (0.65) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL2454068 0.78 KMT2A (0.60) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL2454069 0.78 KMT2A (0.60) KMT2APOLBPTPN1PKMPTPN7
SCHEMBL335985 0.78 KMT2A (0.60) KMT2APOLBPTPN1PKMPTPN7

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