SCHEMBL6967622

SCHEMBL6967622

O=C(CCCCc1ccccc1)NC(C(=O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.58
HDAC2 Q92769 3/20 0.58
ALOX5 P09917 1/20 0.58
CTSG P08311 1/20 0.56
CMA1 P23946 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
HDAC3 O15379 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX1 P07099 1/20 0.49

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
SCHEMBL6967539 0.89 HDAC2 (0.56) HDAC1HDAC2SMN1; SMN2HDAC8HDAC6
SCHEMBL31043494 0.83 ASAH1 (0.63) ALDH1A1
SCHEMBL31043495 0.83 ASAH1 (0.63) ALDH1A1
SCHEMBL30831553 0.83 NAALAD2 (0.50) MAPTALDH1A1
SCHEMBL31043501 0.82 ASAH1 (0.66) ALDH1A1KMT2A
SCHEMBL13963519 0.82 ASAH1 (0.66) ALDH1A1KMT2A
SCHEMBL4786264 0.82 ASAH1 (0.66) ALDH1A1KMT2A
SCHEMBL14842114 0.82 ASAH1 (0.66) ALDH1A1KMT2A
SCHEMBL14842112 0.82 ASAH1 (0.66) ALDH1A1KMT2A
SCHEMBL31043498 0.82 ASAH1 (0.66) ALDH1A1KMT2A

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-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP disclosed
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP disclosed
US-5830869-A METALLOPROTEASE INHIBITOR PHARMACIA & UPJOHN COMPANY 1998-11-03 US disclosed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO disclosed