SCHEMBL8802855

SCHEMBL8802855

CC(=O)Oc1ccc2c(C(=O)c3ccccc3)cn(Cc3ccccc3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ HDAC1 Q13547 3/20 0.58
▸ HDAC2 Q92769 3/20 0.58
▸ HDAC6 Q9UBN7 3/20 0.58
▸ MAPT P10636 5/20 0.54
▸ TP53 P04637 4/20 0.54
▸ HDAC3 O15379 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC9 Q9UKV0 1/20 0.52
▸ HDAC5 Q9UQL6 1/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ SERPINE1 P05121 1/20 0.50

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
SCHEMBL9056108 0.91 LMNA (0.55) LMNAALDH1A1HDAC1HDAC2HDAC6
SCHEMBL27486760 0.90 LMNA (0.61) LMNAALDH1A1HDAC1HDAC2HDAC6
SCHEMBL1562983 0.81 HDAC1 (0.77) LMNAALDH1A1HDAC1HDAC2HDAC6
SCHEMBL8801519 0.81 ALDH1A1 (0.48) LMNAALDH1A1MAPT
SCHEMBL27555301 0.81 L3MBTL1 (0.53) LMNAALDH1A1HDAC1HDAC2HDAC6
SCHEMBL8390400 0.80 ADORA1 (0.54) LMNAALDH1A1HDAC1HDAC2HDAC6
SCHEMBL27486759 0.80 LMNA (0.56) LMNAALDH1A1HDAC1HDAC2HDAC6
SCHEMBL10095262 0.77 LMNA (0.58) LMNAALDH1A1HDAC1HDAC2HDAC6
SCHEMBL15712247 0.76 LMNA (0.60) LMNAALDH1A1MAPTTP53MAPK1
SCHEMBL1548669 0.75 LMNA (0.94) LMNAALDH1A1MAPTTP53RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1166169-A Heterocyclic compounds, useful as allosteric effectors at muscarinic receptors SANKYO CO (JP) 1997-11-26 — — CN disclosed
EP-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 — — EP disclosed
WO-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 — — WO disclosed
Send feedback