SCHEMBL11792220

SCHEMBL11792220

CCCCCCOC(=O)c1cc(NCCCC)c(Oc2ccccc2)c(S(N)(=O)=O)c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.77
▸ USP2 O75604 1/20 0.77
▸ ALDH1A1 P00352 1/20 0.77
▸ CA2 P00918 1/20 0.77
▸ LMNA P02545 1/20 0.77
▸ HPGD P15428 1/20 0.77
▸ TSHR P16473 1/20 0.77
▸ BLM P54132 1/20 0.77
▸ SLC12A2 P55011 1/20 0.77
▸ HIF1A Q16665 1/20 0.77
▸ NPSR1 Q6W5P4 1/20 0.77
▸ HSD17B10 Q99714 1/20 0.77
▸ AQP1 P29972 1/20 0.65
▸ PTGS2 P35354 15/20 0.63
▸ STS P08842 2/20 0.46
▸ CNR2 P34972 1/20 0.46

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
SCHEMBL11787813 0.99 KDM4E (0.78) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL11842239 0.97 KDM4E (0.75) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2876098 0.96 KDM4E (0.80) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL230777 0.93 KDM4E (0.72) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL11784497 0.91 KDM4E (0.81) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL22971474 0.91 KDM4E (0.81) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL29436047 0.91 LMNA (0.72) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL231315 0.91 CA2 (0.74) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL23432111 0.90 LMNA (0.73) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL22971169 0.90 KDM4E (0.73) 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-3991097-A BORON HYDRIDE OR METAL BOROHYDRIDES AS REDUCING AGENT, LEWIS ACID HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-09 — — US disclosed
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