SCHEMBL9840968

SCHEMBL9840968

CCC1=Nc2ccccc2C(=O)C1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
HTT P42858 5/20 0.41
HBB P68871 2/20 0.41
ALOX15 P16050 1/20 0.41
SLC25A5 P05141 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
KDM4E B2RXH2 5/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ADORA3 P0DMS8 1/20 0.38
THRB P10828 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGS1 P23219 1/20 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
SCHEMBL27536345 0.81 MAPT (0.43) MAPTHTTHBBALOX15SLC25A5
SCHEMBL10513601 0.81 MAPT (0.43) MAPTHTTHBBALOX15SLC25A5
SCHEMBL14515537 0.78 SMN1; SMN2 (0.33) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL28302614 0.78 MAPT (0.43) MAPTHTTHBBALOX15SLC25A5
SCHEMBL28301099 0.78 MAPT (0.43) MAPTHTTHBBALOX15SLC25A5
SCHEMBL27674572 0.78 MAPT (0.43) MAPTHTTHBBALOX15SLC25A5
SCHEMBL27332488 0.78 MAPT (0.43) MAPTHTTHBBALOX15SLC25A5
SCHEMBL27396758 0.77 MAPT (0.48) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL6280801 0.76 MAPT (0.42) MAPTHTTHBBALOX15SLC25A5
Hydrochloric Acid SCHEMBL27475583 0.76 MAPT (0.42) MAPTHTTHBBALOX15SLC25A5

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-5019570-A Antibioics IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-28 US disclosed