SCHEMBL11117217

SCHEMBL11117217

COc1ccc(C(=O)N(CCCCCCCC(=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.55
TSHR P16473 1/20 0.52
PTGIR P43119 2/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 1/20 0.47
ACHE P22303 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LTB4R Q15722 1/20 0.44

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
SCHEMBL11115783 0.94 PTGIR (0.54) PDE4BTSHRPTGIRKDM4EHPGD
SCHEMBL11116578 0.94 PTGIR (0.54) PDE4BTSHRPTGIRKDM4EHPGD
SCHEMBL11117499 0.94 PTGIR (0.54) PDE4BTSHRPTGIRKDM4EHPGD
SCHEMBL11118148 0.94 PDE4B (0.49) PDE4BTSHRPTGIRKDM4EHPGD
SCHEMBL11946690 0.92 PTGIR (0.55) PDE4BTSHRPTGIRKDM4EHPGD
SCHEMBL11443416 0.89 TSHR (0.62) PDE4BTSHRPTGIRKDM4EHPGD
Clanobutin SCHEMBL5055263 0.88 PTGIR (0.56) PDE4BTSHRPTGIRKDM4EHPGD
Clanobutin SCHEMBL667903 0.88 PTGIR (0.56) PDE4BTSHRPTGIRKDM4EHPGD
SCHEMBL11121456 0.88 TSHR (0.48) TSHRKDM4EHPGDACHEMEN1
Clanobutin SCHEMBL3850118 0.87 PTGIR (0.55) PDE4BTSHRPTGIRKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0051828-B1 N-BENZOYL-ALPHA-ANILINO ALKANE CARBOXYLIC ACIDS, SALTS AND ESTERS THEREOF, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME A. Nattermann & Cie. GmbH (DE) 1984-03-14 EP claimed
US-4386031-A ANTICOAGULANTS; ANTIALLERGENS; ANTINFLAM-MATORY AND ANTILIPEMIC AGENTS; ANTIHISTAMINES; CARDIOVASCULAR DISORDERS A. NATTERMANN & CIE GMBH (DE) 1983-05-31 US claimed
EP-0051828-A1 N-benzoyl-alpha-anilino alkane carboxylic acids, salts and esters thereof, process for producing the same and pharmaceutical preparations containing the same A. Nattermann & Cie. GmbH (DE) 1982-05-19 EP claimed
EP-0051828-B1 N-BENZOYL-ALPHA-ANILINO ALKANE CARBOXYLIC ACIDS, SALTS AND ESTERS THEREOF, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME A. Nattermann & Cie. GmbH (DE) 1984-03-14 EP disclosed
US-4386031-A ANTICOAGULANTS; ANTIALLERGENS; ANTINFLAM-MATORY AND ANTILIPEMIC AGENTS; ANTIHISTAMINES; CARDIOVASCULAR DISORDERS A. NATTERMANN & CIE GMBH (DE) 1983-05-31 US disclosed
EP-0051828-A1 N-benzoyl-alpha-anilino alkane carboxylic acids, salts and esters thereof, process for producing the same and pharmaceutical preparations containing the same A. Nattermann & Cie. GmbH (DE) 1982-05-19 EP disclosed