SCHEMBL6274973

SCHEMBL6274973

Cc1ccc(S(=O)(=O)OC2O[C@H]2Cc2ccc(OCCn3c(C)ccc3-c3cc4ccccc4o3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4026256 0.78 DRD3 (0.39) LMNAALDH1A1GAADRD2DRD3
SCHEMBL4029566 0.70 DRD3 (0.38) LMNAALDH1A1GAADRD2DRD3
SCHEMBL4031253 0.70 DRD3 (0.39) LMNAALDH1A1GAADRD2DRD3
SCHEMBL6076338 0.69 PGR (0.53) DRD3
SCHEMBL4025601 0.69 DRD3 (0.42) LMNAALDH1A1GAADRD2DRD3
SCHEMBL4025892 0.69 DRD3 (0.44) LMNAALDH1A1DRD2DRD3BCHE
SCHEMBL4025605 0.66 DRD3 (0.35) LMNAALDH1A1GAADRD2DRD3
SCHEMBL13633899 0.63 SIRT2 (0.47) LMNAALDH1A1GAAKDM4EUSP2
SCHEMBL4911544 0.62 CA9 (0.54) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL28534228 0.60 CYP2D6 (0.41) LMNAALDH1A1GAAKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP disclosed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO disclosed