SCHEMBL11652159

SCHEMBL11652159

O=C(O)C1OC1C(=O)OCc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR4A2 P43354 1/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
P2RX4 Q99571 1/20 0.42
MMP2 P08253 2/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
FABP7 O15540 3/20 0.40
FABP5 Q01469 3/20 0.40
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL2386510 0.85 FABP7 (0.54) ALDH1A1L3MBTL1KMT2AFABP7FABP5
SCHEMBL2386506 0.85 FABP7 (0.54) ALDH1A1L3MBTL1KMT2AFABP7FABP5
SCHEMBL2386516 0.85 FABP7 (0.54) ALDH1A1L3MBTL1KMT2AFABP7FABP5
SCHEMBL6816419 0.85 FABP7 (0.54) ALDH1A1L3MBTL1KMT2AFABP7FABP5
Hydrochloric Acid SCHEMBL11207488 0.84 FABP7 (0.53) ALDH1A1L3MBTL1KMT2AFABP7FABP5
SCHEMBL11195801 0.74 FABP7 (0.55) ALDH1A1MAPTPOLBP2RX4MMP2
SCHEMBL8197936 0.74 ALDH1A1 (0.54) ALDH1A1L3MBTL1NPSR1CYP1A2CYP3A4
SCHEMBL14937275 0.73 MEN1 (0.56) ALDH1A1L3MBTL1NPSR1CYP1A2CYP3A4
SCHEMBL6842005 0.73 L3MBTL1 (0.42) ALDH1A1L3MBTL1NPSR1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11846628 0.72 ALDH1A1 (0.53) ALDH1A1L3MBTL1NPSR1CYP1A2CYP3A4

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
JP-53108936-A None JP disclosed
JP-S53108936-A EPOLYSUCCINIC MONOESTER DERIVATIVE TAISHO PHARMACEUT CO LTD 1978-09-22 JP disclosed