SCHEMBL5158147

SCHEMBL5158147

CC(C(=O)O)C(O)c1ccco1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
POLB P06746 3/20 0.60
PTPN1 P18031 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
PKM P14618 1/20 0.60
PTPN7 P35236 1/20 0.60
BLM P54132 1/20 0.60
ESR2 Q92731 1/20 0.60
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 1/20 0.46
AGTR1 P30556 1/20 0.46
HSD17B10 Q99714 1/20 0.43
CYP2C19 P33261 2/20 0.41
MIF P14174 1/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL5929575 1.00 KMT2A (0.60) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL27728696 0.79 KMT2A (0.50) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL15291349 0.78 KMT2A (0.62) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL11151822 0.78 KMT2A (0.58) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL15272598 0.78 KMT2A (0.58) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL15272327 0.78 KMT2A (0.58) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL2480787 0.78 KMT2A (0.61) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL10147174 0.77 KMT2A (0.48) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL2454068 0.77 KMT2A (0.60) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL2454069 0.77 KMT2A (0.60) KMT2APOLBPTPN1L3MBTL1PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP disclosed