SCHEMBL11845554

SCHEMBL11845554

CCCCNc1cc(C(=O)O)cc(S(=O)(=O)NCCCC)c1Oc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.79
USP2 O75604 1/20 0.79
ALDH1A1 P00352 1/20 0.79
CA2 P00918 1/20 0.79
LMNA P02545 1/20 0.79
HPGD P15428 1/20 0.79
TSHR P16473 1/20 0.79
BLM P54132 1/20 0.79
SLC12A2 P55011 1/20 0.79
HIF1A Q16665 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79
HSD17B10 Q99714 1/20 0.79
AQP1 P29972 1/20 0.58
PTGS2 P35354 15/20 0.57
CA12 O43570 3/20 0.51
CA9 Q16790 3/20 0.51

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
SCHEMBL11787827 0.98 KDM4E (0.76) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL11792233 0.97 KDM4E (0.74) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL11842254 0.97 KDM4E (0.74) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2741856 0.97 KDM4E (0.77) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2741853 0.95 KDM4E (0.77) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL253150 0.93 KDM4E (0.69) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL11849556 0.92 CA2 (0.67) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2741852 0.92 KDM4E (0.79) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL30241161 0.91 KDM4E (0.77) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL28945957 0.91 KDM4E (0.77) KDM4EUSP2ALDH1A1CA2LMNA

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-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 US disclosed