SCHEMBL6917169

SCHEMBL6917169

CC(=O)c1ccc(C(=O)OC(=O)C(O)CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
LMNA P02545 4/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 3/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ESR1 P03372 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
ESR2 Q92731 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PRKCA P17252 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL8922492 0.91 ALDH1A1 (0.41) MAPTLMNAPOLBNPSR1KMT2A
SCHEMBL3894587 0.83 PRKCA (0.36) MAPTLMNAPOLBKMT2AALDH1A1
SCHEMBL62519 0.83 LMNA (0.51) MAPTLMNANPSR1RAB9AKMT2A
SCHEMBL3390 0.82 ALDH1A1 (0.55) LMNAHPGDRAB9AKMT2AL3MBTL1
SCHEMBL4529776 0.82 ALDH1A1 (0.50) MAPTLMNAHPGDRAB9AKMT2A
Benzocaine SCHEMBL7263677 0.79 LMNA (0.69) MAPTLMNANPSR1HPGDRAB9A
Ether SCHEMBL13280294 0.78 LMNA (0.46) MAPTLMNARAB9AKMT2AGAA
SCHEMBL775791 0.77 MAPT (0.58) MAPTLMNAPOLBNPSR1HPGD
SCHEMBL6917173 0.76 MAPT (0.53) MAPTLMNAPOLBNPSR1ALDH1A1
SCHEMBL28187657 0.73 MAPT (0.54) MAPTLMNAPOLBNPSR1HPGD

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-6720439-B1 EFFICIENT REDUCTION OF BASE SENSITIVE CARBONYL COMPOUNDS; SEPARATING RACEMIC CARBONYL COMPOUNDS; CHIRAL CATALYSTS NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2004-04-13 US disclosed