SCHEMBL8680430

SCHEMBL8680430

O=C(O)C1=Cc2ccccc2C(=O)C1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
HTT P42858 2/20 0.42
HBB P68871 2/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
KMT2A Q03164 2/20 0.35
PTGS1 P23219 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SCN2A Q99250 1/20 0.35
MEN1 O00255 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
THRB P10828 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL595400 0.76 CYP2D6 (0.38) MAPTHTTHBBALOX15CYP1A2
SCHEMBL29843526 0.74 S100A4 (0.39) MAPTHTTHBBALOX15CYP1A2
SCHEMBL10344203 0.69 MEN1 (0.55) MAPTHTTHBBALOX15CYP1A2
SCHEMBL30665368 0.69 MEN1 (0.55) MAPTHTTHBBALOX15CYP1A2
SCHEMBL2405982 0.67 MAPT (0.44) MAPTHTTHBBALOX15CYP1A2
SCHEMBL30895284 0.66 MAOA (0.50) ALOX15CA12CA9KMT2ACA1
SCHEMBL503745 0.66 MAOA (0.50) ALOX15CA12CA9KMT2ACA1
SCHEMBL7354968 0.66 MAOA (0.50) MAPTHTTALOX15CA12CA9
Hydrochloric Acid SCHEMBL26614007 0.65 MAOA (0.48) ALOX15CA12CA9KMT2ACA1
SCHEMBL5982033 0.64 KDM4E (0.44) MAPTPTGS1LMNAPOLBALDH1A1

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-5808142-A Process for the preparation of 2-hydroxynaphthalene-6-carboxylic acid HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed