Beta-Naphtoic Acid

Beta-Naphtoic Acid

SCHEMBL4328136

O=C(CBr)c1ccc(OC(=O)c2ccc3ccccc3c2)cc1.O=C(O)c1ccc2ccccc2c1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.63
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
GSK3B P49841 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
KDM4E B2RXH2 2/20 0.44
PARP10 Q53GL7 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
LMNA P02545 1/20 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
SCHEMBL4333412 0.94 PTPN1 (0.71) PTPN1MAPTKMT2AMEN1TDP1
SCHEMBL2261141 0.82 PTPN1 (0.66) PTPN1MAPTKMT2AMEN1TDP1
SCHEMBL10960357 0.82 MAPT (0.57) MAPTKMT2AMEN1TDP1KDM4E
SCHEMBL29637878 0.82 MAPT (0.57) MAPTKMT2AMEN1TDP1KDM4E
SCHEMBL4328140 0.82 PTPN1 (0.53) PTPN1MAPTKMT2AMEN1TDP1
SCHEMBL418527 0.81 MAPT (0.68) PTPN1MAPTKMT2AMEN1TDP1
SCHEMBL29411099 0.79 PTPN1 (1.00) PTPN1MAPTKMT2AMEN1TDP1
SCHEMBL220588 0.79 PTPN1 (1.00) PTPN1MAPTKMT2AMEN1TDP1
SCHEMBL4324217 0.79 GSK3B (0.72) PTPN1MAPTKMT2AMEN1TDP1
SCHEMBL8666453 0.78 KMT2A (0.64) MAPTKMT2AMEN1TDP1KDM4E

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
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed