SCHEMBL9067407

SCHEMBL9067407

CCC(=S)N(NC(=O)c1ccccc1O)C(=O)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA9 Q16790 4/20 0.50
KDM4E B2RXH2 7/20 0.47
MAPT P10636 1/20 0.47
GAA P10253 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MPO P05164 1/20 0.45
HIF1A Q16665 1/20 0.45
NAAA Q02083 1/20 0.44
L1CAM P32004 1/20 0.44
LMNA P02545 4/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 3/20 0.42
HTT P42858 3/20 0.42
RAB9A P51151 2/20 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
SCHEMBL548547 0.82 CA1 (0.47) CA1CA9KDM4EMAPTGAA
SCHEMBL3038293 0.77 LMNA (0.43) CA1CA9KDM4EMAPTGAA
SCHEMBL11328037 0.76 KDM4E (0.47) CA1CA9KDM4EMAPTGAA
SCHEMBL28582275 0.74 KDM4E (0.57) CA1CA9KDM4EMAPTGAA
SCHEMBL29966079 0.73 KDM4E (0.45) CA1CA9KDM4EMAPTGAA
SCHEMBL78143 0.73 KDM4E (0.45) CA1CA9KDM4EMAPTGAA
SCHEMBL5685341 0.72 NAAA (0.50) KDM4EMAPTGAASMN1; SMN2NAAA
SCHEMBL28537325 0.72 TSHR (0.41) KDM4EMAPTGAASMN1; SMN2MPO
SCHEMBL11689088 0.72 GAA (0.41) CA1CA9KDM4EMAPTGAA
SCHEMBL15538027 0.72 KDM4E (0.59) CA1CA9KDM4EMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516827-A MIXED WITH TIN ALCOHOLATE OR CARBOXYLATE, ZINC PHENOXIDE OR CARBOXYLATE, AND THIOPHOSPHATE OR THIOPHOSPHITE CIBA-GEIGY CORPORATION (US) 1996-05-14 US disclosed