SCHEMBL11041596

SCHEMBL11041596

O=C(CO)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
TDP1 Q9NUW8 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
LMNA P02545 3/20 0.50
HCAR2 Q8TDS4 1/20 0.50
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL27144 0.85 ALDH1A1 (0.68) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL7636977 0.84 ALDH1A1 (0.66) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL11211554 0.82 ALDH1A1 (0.60) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL15514448 0.82 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL7806540 0.82 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL305295 0.82 ALDH1A1 (0.60) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL19766934 0.82 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL30996079 0.82 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL15515016 0.82 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
Hydrazine SCHEMBL6220248 0.82 ALDH1A1 (0.59) ALDH1A1TDP1KMT2AMAPK1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1984001154-A1 METHOD AND MATERIALS FOR THE MICROBIOLOGICAL OXIDATION OF AROMATIC HYDROCARBONS AMGEN (US) 1984-03-29 WO disclosed
EP-0103887-A2 Method and materials for the microbiological oxidation of aromatic hydrocarbons AMGEN INC. (US) 1984-03-28 EP disclosed