SCHEMBL4130491

SCHEMBL4130491

COc1ccc2[nH]cc(C(=O)C(=O)N(CC(=O)O)C(C(=O)NC3CCCCC3)C3CCCCC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.49
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NR4A2 P43354 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MITF O75030 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 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
SCHEMBL3941764 0.93 MAPT (0.52) HTR4ALDH1A1LMNAKDM4EMAPT
SCHEMBL3944471 0.93 MAPT (0.52) HTR4ALDH1A1LMNAKDM4EMAPT
SCHEMBL3943996 0.93 MAPT (0.52) HTR4ALDH1A1LMNAKDM4EMAPT
SCHEMBL3941856 0.93 MAPT (0.52) HTR4ALDH1A1LMNAKDM4EMAPT
SCHEMBL3942598 0.93 MAPT (0.52) HTR4ALDH1A1LMNAKDM4EMAPT
SCHEMBL4542623 0.92 MAPT (0.52) HTR4ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL3951135 0.89 MAPT (0.49) HTR4ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL4029173 0.88 MAPT (0.47) HTR4ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL4347407 0.88 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRMAPTL3MBTL1
SCHEMBL3944346 0.88 MAPT (0.49) HTR4ALDH1A1KDM4EMAPTL3MBTL1

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
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO claimed