SCHEMBL8921586

SCHEMBL8921586

C=C(CCC)C(=O)O.CCN(CC)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
BCHE P06276 3/20 0.48
ACHE P22303 3/20 0.48
LMNA P02545 1/20 0.46
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 1/20 0.43
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1476594 0.86 ALDH1A1 (0.55) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL4399841 0.85 BCHE (0.59) L3MBTL1BCHEACHEKDM4EHDAC8
Hydrochloric Acid SCHEMBL1237206 0.84 ALDH1A1 (0.53) LMNAKDM4ENPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL2379881 0.84 ALDH1A1 (0.53) LMNAKDM4ENPC1RAB9AALDH1A1
Phosphoric Acid SCHEMBL10436083 0.81 ALDH1A1 (0.49) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL747487 0.79 HDAC3 (0.40) HDAC8HDAC6ALDH1A1
SCHEMBL3473814 0.78 HDAC3 (0.56) L3MBTL1BCHEACHENPC1RAB9A
Hydrochloric Acid SCHEMBL398738 0.77 FFAR3 (0.39) HDAC8ALDH1A1
Bromide SCHEMBL5375096 0.77 FFAR3 (0.39) HDAC8ALDH1A1
Hydrochloric Acid SCHEMBL28013129 0.77 FFAR3 (0.39) HDAC8ALDH1A1

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-5683805-A ACRYLIC LINTEC CORPORATION (JP) 1997-11-04 US disclosed