SCHEMBL5319337

SCHEMBL5319337

CC(=O)C(O)c1ccco1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
MEN1 O00255 4/20 0.67
POLB P06746 3/20 0.67
ALDH1A1 P00352 3/20 0.67
MAPT P10636 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
PTPN1 P18031 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
KDM4E B2RXH2 1/20 0.67
PKM P14618 1/20 0.67
PTPN7 P35236 1/20 0.67
BLM P54132 1/20 0.67
ESR2 Q92731 1/20 0.67
AGTR1 P30556 1/20 0.60
ALOX5 P09917 1/20 0.46
HSD17B10 Q99714 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP2C19 P33261 2/20 0.41
RECQL P46063 2/20 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
SCHEMBL525255 0.82 KMT2A (0.72) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL15388844 0.80 KMT2A (0.69) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL1704074 0.80 KMT2A (1.00) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL10430342 0.80 KMT2A (1.00) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL10430343 0.80 KMT2A (1.00) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL7901610 0.80 KMT2A (0.53) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL11538261 0.78 KMT2A (0.52) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL27495771 0.78 KMT2A (0.67) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL27391080 0.78 KMT2A (0.67) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL10369018 0.78 KMT2A (0.60) KMT2AMEN1POLBALDH1A1MAPT

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
WO-2024102752-A1 SMALL MOLECULE MODULATORS OF PAR2 AND USES THEREOF PARMEDICS, INC. (US) 2024-05-16 WO disclosed
WO-2007077140-A1 HYDROXY-NOREPHEDRINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed