SCHEMBL7911539

SCHEMBL7911539

CCC(=O)Oc1ccc(SCCNC)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
ACHE P22303 4/20 0.40
KMT2A Q03164 3/20 0.39
USP2 O75604 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ESR1 P03372 2/20 0.39
HIF1A Q16665 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL7907629 0.82 NPC1 (0.41) KDM4EALDH1A1LMNAACHEKMT2A
SCHEMBL6560619 0.82 NPC1 (0.41) KDM4EALDH1A1LMNAACHEKMT2A
SCHEMBL7911541 0.75 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AGAAHPGD
SCHEMBL1512534 0.74 ESR1 (0.53) KDM4EALDH1A1LMNAACHEKMT2A
SCHEMBL6938834 0.72 HPGD (0.41) KDM4EALDH1A1LMNAKMT2AGLA
SCHEMBL27703405 0.71 LMNA (0.51) KDM4ELMNAACHEGLAGAA
SCHEMBL9422499 0.71 ESR1 (0.51) KDM4EALDH1A1LMNAACHEKMT2A
SCHEMBL11471018 0.71 KMT2A (0.50) KDM4EALDH1A1ACHEKMT2AUSP2
SCHEMBL27578640 0.70 ESR1 (0.50) KDM4EALDH1A1LMNAACHEKMT2A
SCHEMBL11148731 0.70 ALDH1A1 (0.38) KDM4EALDH1A1LMNAKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083888-A1 MULTIBINDING AGENTS THAT MODULATE PPARgamma AND RXR RECEPTORS Advanced Medicine, Inc. (US) 2001-03-21 EP disclosed
WO-1999063983-A9 MULTIBINDING AGENTS THAT MODULATE PPARη AND RXR RECEPTORS ADVANCED MEDICINE INC (US) 2000-03-23 WO disclosed
WO-1999063983-A1 MULTIBINDING AGENTS THAT MODULATE PPARη AND RXR RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed