SCHEMBL10513601

SCHEMBL10513601

CC1=Nc2ccccc2C(=O)C1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
HTT P42858 7/20 0.43
HBB P68871 2/20 0.43
ALOX15 P16050 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
ADORA3 P0DMS8 1/20 0.40
THRB P10828 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGS1 P23219 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC25A5 P05141 2/20 0.39
LMNA P02545 7/20 0.38
KDM4E B2RXH2 7/20 0.38

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
SCHEMBL9840968 0.81 MAPT (0.41) MAPTHTTHBBALOX15CYP1A2
SCHEMBL27536345 0.80 MAPT (0.43) MAPTHTTHBBALOX15CYP1A2
SCHEMBL28301099 0.80 MAPT (0.43) MAPTHTTHBBALOX15CYP1A2
SCHEMBL28302614 0.80 MAPT (0.43) MAPTHTTHBBALOX15CYP1A2
SCHEMBL27674572 0.80 MAPT (0.43) MAPTHTTHBBALOX15CYP1A2
SCHEMBL27332488 0.80 MAPT (0.43) MAPTHTTHBBALOX15CYP1A2
SCHEMBL6280801 0.79 MAPT (0.42) MAPTHTTHBBALOX15CYP1A2
Hydrochloric Acid SCHEMBL27475583 0.79 MAPT (0.42) MAPTHTTHBBALOX15CYP1A2
SCHEMBL4104071 0.77 MAPT (0.39) MAPTHTTHBBALOX15CYP1A2
SCHEMBL3995846 0.77 GAA (0.40) MAPTHTTALDH1A1MEN1KMT2A

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
EP-0326891-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-08-09 EP claimed