SCHEMBL11117499

SCHEMBL11117499

COc1ccc(N(CCCCCCCCCCC(=O)O)C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.54
PDE4B Q07343 1/20 0.49
TSHR P16473 1/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 2/20 0.46
BCL2A1 Q16548 2/20 0.46
ACHE P22303 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PDK1 Q15118 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
SCHEMBL11115783 1.00 PTGIR (0.54) PTGIRPDE4BTSHRHPGDTP53
SCHEMBL11116578 1.00 PTGIR (0.54) PTGIRPDE4BTSHRHPGDTP53
SCHEMBL11946690 0.99 PTGIR (0.55) PTGIRPDE4BTSHRHPGDTP53
Clanobutin SCHEMBL5055263 0.95 PTGIR (0.56) PTGIRPDE4BTSHRHPGDTP53
Clanobutin SCHEMBL667903 0.95 PTGIR (0.56) PTGIRPDE4BTSHRHPGDTP53
Clanobutin SCHEMBL3850118 0.94 PTGIR (0.55) PTGIRPDE4BTSHRHPGDTP53
SCHEMBL11117217 0.94 PDE4B (0.55) PTGIRPDE4BTSHRHPGDTP53
SCHEMBL11232801 0.93 PTGIR (0.50) PTGIRPDE4BTSHRHPGDTP53
SCHEMBL11314317 0.91 PTGIR (0.52) PTGIRPDE4BTSHRHPGDTP53
SCHEMBL11217740 0.90 PTGIR (0.53) PTGIRPDE4BTSHRHPGDTP53

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 4 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
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