SCHEMBL10758403

SCHEMBL10758403

O=C(O)CCCCCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.56
PTK2 Q05397 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PTGIR P43119 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PPARG P37231 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL10758321 1.00 HDAC2 (0.56) HDAC2PTK2HDAC3HDAC1HDAC8
SCHEMBL10762838 1.00 HDAC2 (0.56) HDAC2PTK2HDAC3HDAC1HDAC8
SCHEMBL10754699 1.00 HDAC2 (0.56) HDAC2PTK2HDAC3HDAC1HDAC8
SCHEMBL10755254 1.00 HDAC2 (0.56) HDAC2PTK2HDAC3HDAC1HDAC8
SCHEMBL10764814 1.00 HDAC2 (0.56) HDAC2PTK2HDAC3HDAC1HDAC8
SCHEMBL10757516 0.99 HDAC2 (0.55) HDAC2PTK2HDAC3HDAC1HDAC8
SCHEMBL10754564 0.95 MEN1 (0.55) HDAC2PTK2HDAC3HDAC1HDAC8
SCHEMBL10759026 0.92 HDAC2 (0.52) HDAC2PTK2HDAC3HDAC1HDAC8
SCHEMBL10755178 0.92 HDAC2 (0.52) HDAC2PTK2HDAC3HDAC1HDAC8
SCHEMBL10757716 0.92 HDAC2 (0.52) HDAC2PTK2HDAC3HDAC1HDAC8

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
US-4654358-A 1,4,5-triphenylimidazol-2-yl mercapto alkanoic acids, useful against inflammation and diseases responding to lipid lowering A. NATTERMANN & CIE GMBH (DE) 1987-03-31 US disclosed
EP-0130526-A1 Imidazol-2-yl mercapto alkanoic acids, process for producing the same and pharmaceutical preparations containing the same A. Nattermann & Cie. GmbH (DE) 1985-01-09 EP disclosed