SCHEMBL8023364

SCHEMBL8023364

O=C(CC(O)c1ccco1)NF

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
POLB P06746 3/20 0.52
PKM P14618 3/20 0.52
PTPN1 P18031 1/20 0.52
PTPN7 P35236 1/20 0.52
BLM P54132 1/20 0.52
ESR2 Q92731 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 4/20 0.43
AGTR1 P30556 1/20 0.43
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
ATM Q13315 1/20 0.42
MIF P14174 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL23080114 0.81 KMT2A (0.47) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL27813691 0.81 KMT2A (0.59) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL4453575 0.79 KMT2A (0.62) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL3814849 0.79 KMT2A (0.62) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL3082332 0.79 POLB (0.56) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL12897248 0.78 KMT2A (0.55) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL23080115 0.78 CYP2C19 (0.62) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL5158141 0.77 KMT2A (0.50) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL5929569 0.77 KMT2A (0.50) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL20374885 0.75 KMT2A (0.47) KMT2APOLBPKMPTPN1PTPN7

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-0968302-A1 METHOD FOR PRODUCING ESTERS FREE OF ENANTIOMERS BASF AKTIENGESELLSCHAFT (DE) 2000-01-05 EP disclosed
WO-1998037225-A1 METHOD FOR PRODUCING ESTERS FREE OF ENANTIOMERS BASF AKTIENGESELLSCHAFT (DE) 1998-08-27 WO disclosed