SCHEMBL9865340

SCHEMBL9865340

CC(C)(C)ON(C=O)CCCCCC(=O)Nc1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
CASR P41180 1/20 0.40
HDAC2 Q92769 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MEN1 O00255 10/20 0.37
KMT2A Q03164 10/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 5/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 4/20 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
SCHEMBL9866706 0.80 SMN1; SMN2 (0.53) L3MBTL1HDAC2HDAC8HDAC6HDAC3
SCHEMBL9865333 0.78 CA1 (0.48) L3MBTL1CASRHDAC2HDAC8HDAC6
SCHEMBL27545217 0.77 MEN1 (0.55) L3MBTL1CASRMEN1KMT2ANPC1
SCHEMBL11632238 0.77 L3MBTL1 (0.66) L3MBTL1CASRMEN1KMT2ANPC1
SCHEMBL9865141 0.75 HTT (0.48) CASRHDAC8HDAC1MEN1KMT2A
SCHEMBL9865970 0.73 KDM4C (0.50) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL9865796 0.73 SELL (0.47) L3MBTL1CASRHDAC2HDAC8HDAC6
SCHEMBL11632613 0.72 CASR (0.55) L3MBTL1CASRMEN1KMT2ANPC1
SCHEMBL9866212 0.72 KMT2A (0.39) L3MBTL1MEN1KMT2AMAPTLMNA
SCHEMBL1186353 0.70 MEN1 (0.50) CASRMEN1KMT2ANPC1RAB9A

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-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed