SCHEMBL8545762

SCHEMBL8545762

Cc1ccc(C(=O)c2oc3cc(OCc4ccccc4)ccc3c2C=CC(=O)N2CCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 7/20 0.43
ACHE P22303 2/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAOA P21397 2/20 0.43
CASP3 P42574 3/20 0.43
SENP8 Q96LD8 3/20 0.43
SENP7 Q9BQF6 3/20 0.43
SENP6 Q9GZR1 3/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL8545761 1.00 APP (0.45) APPALDH1A1LMNAPOLBGAA
SCHEMBL8550306 0.79 MAOB (0.62) ALDH1A1KDM4EMEN1KMT2AMAOB
SCHEMBL8545664 0.76 KDM4E (0.53) ALDH1A1KDM4EMEN1KMT2AMAOB
SCHEMBL28208757 0.74 MAOB (0.66) ALDH1A1POLBHPGDKDM4EMEN1
SCHEMBL28411136 0.73 CASP3 (0.57) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL28209630 0.68 CASP3 (0.61) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL24470576 0.67 CASP3 (0.69) ALDH1A1LMNAMAPTHPGDL3MBTL1
SCHEMBL8545670 0.67 SLC26A3 (0.48) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL7403324 0.64 MAOB (0.57) ALDH1A1KDM4EMEN1KMT2AMAOB
SCHEMBL31556120 0.64 ALDH1A1 (0.78) ALDH1A1LMNAPOLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623607-B1 Benzofuranyl-and-thiophenyl-alkanecarboxyclic acid derivatives BAYER AG (DE) 1998-07-15 EP disclosed
EP-0623607-A1 Benzofuranyl-and-thiophenyl-alkanecarboxyclic acid derivatives BAYER AG (DE) 1994-11-09 EP disclosed