SCHEMBL11583299

SCHEMBL11583299

CC=C(CC)Oc1ccc(C(=O)COCC(=O)OCC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ESR1 P03372 1/20 0.40
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ELANE P08246 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL11584102 0.88 KMT2A (0.43) ALDH1A1L3MBTL1KMT2AMAPTSMN1; SMN2
SCHEMBL9724065 0.85 SMN1; SMN2 (0.41) ALDH1A1KMT2AMAPTSMN1; SMN2ESR1
SCHEMBL10545852 0.77 ESR2 (0.56) ALDH1A1KMT2AMAPTESR1NPC1
SCHEMBL11582054 0.77 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1KMT2AMAPTSMN1; SMN2
SCHEMBL10543460 0.77 L3MBTL1 (0.50) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL10544503 0.76 NPC1 (0.51) ALDH1A1L3MBTL1MAPTSMN1; SMN2HPGD
SCHEMBL9724063 0.75 ALDH1A1 (0.51) ALDH1A1L3MBTL1KMT2AMAPTSMN1; SMN2
SCHEMBL10547122 0.75 RAB9A (0.65) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL11583027 0.75 KMT2A (0.54) ALDH1A1L3MBTL1KMT2AMAPTHPGD
SCHEMBL10546420 0.75 L3MBTL1 (0.54) ALDH1A1L3MBTL1SMN1; SMN2GAANPSR1

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-4085135-A ANTIULCER TAISHO PHARMACEUTICAL CO., LTD. (JA) 1978-04-18 US disclosed