SCHEMBL11116763

SCHEMBL11116763

Cc1cccc(C)c1N(CCCCCCCC(=O)O)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.43
▸ PTGIR P43119 1/20 0.40
▸ S1PR1 P21453 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ ABCB1 P08183 1/20 0.37

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
SCHEMBL11311686 0.95 PTGIR (0.41) HDAC6PTGIRS1PR1NPSR1KDM4E
SCHEMBL11321942 0.90 PTGIR (0.39) HDAC6PTGIRS1PR1NPSR1KDM4E
SCHEMBL11220562 0.90 HTT (0.44) HDAC6PTGIRNPSR1KDM4ENPC1
SCHEMBL11118459 0.87 HDAC6 (0.43) HDAC6S1PR1NPSR1KDM4ENPC1
SCHEMBL11325054 0.87 NPSR1 (0.39) HDAC6PTGIRS1PR1NPSR1KDM4E
SCHEMBL11314723 0.85 SMN1; SMN2 (0.43) HDAC6NPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11428109 0.84 NPSR1 (0.42) PTGIRS1PR1NPSR1KDM4ENPC1
SCHEMBL11225954 0.83 PTGIR (0.46) HDAC6PTGIRKDM4ENPC1ALDH1A1
SCHEMBL11314690 0.82 HDAC6 (0.39) HDAC6PTGIRNPSR1KDM4ENPC1
SCHEMBL11317151 0.82 NPC1 (0.39) HDAC6PTGIRS1PR1NPSR1KDM4E

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 5 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-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
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