SCHEMBL7813616

SCHEMBL7813616

CC(C)C(=O)OOc1cccc(N2CCN(C(=O)c3cc(I)c(O)c(I)c3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 3/20 0.43
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NAMPT P43490 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7811456 0.88 MAPT (0.49) ALDH1A1MAPTTSHRLMNAUSP2
SCHEMBL7813660 0.87 MAPT (0.56) ALDH1A1MAPTTSHRLMNAUSP2
SCHEMBL7811396 0.87 ALDH1A1 (0.44) ALDH1A1MAPTTSHRLMNAUSP2
SCHEMBL7817420 0.85 ALDH1A1 (0.55) ALDH1A1MAPTTSHRLMNAUSP2
SCHEMBL7811730 0.85 LMNA (0.50) ALDH1A1MAPTTSHRLMNAUSP2
SCHEMBL7814074 0.84 SMN1; SMN2 (0.53) ALDH1A1MAPTTSHRLMNAMAPK1
SCHEMBL7813608 0.84 MAPT (0.57) ALDH1A1MAPTTSHRLMNAHTT
SCHEMBL7810031 0.84 MAPT (0.49) ALDH1A1MAPTTSHRLMNAUSP2
SCHEMBL7814066 0.84 ALDH1A1 (0.54) ALDH1A1MAPTTSHRLMNAUSP2
SCHEMBL7813961 0.81 KMT2A (0.51) ALDH1A1MAPTTSHRLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607536-B1 Arylamide derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP disclosed
US-5532371-A SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5411972-A Arylamide derivatives for treating hyperlipemia SS PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed