SCHEMBL7811396

SCHEMBL7811396

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP2C9 P11712 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
KCNH2 Q12809 1/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NAMPT P43490 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL7813616 0.87 ALDH1A1 (0.46) ALDH1A1MAPTTSHRUSP2LMNA
SCHEMBL7813660 0.84 MAPT (0.56) ALDH1A1MAPTTSHRUSP2LMNA
SCHEMBL7817420 0.82 ALDH1A1 (0.55) ALDH1A1CYP2C9MAPTTSHRUSP2
SCHEMBL7811730 0.82 LMNA (0.50) ALDH1A1MAPTTSHRUSP2LMNA
SCHEMBL7813608 0.81 MAPT (0.57) ALDH1A1MAPTTSHRLMNAHSP90AA1
SCHEMBL7814074 0.81 SMN1; SMN2 (0.53) ALDH1A1MAPTTSHRLMNAMAPK1
SCHEMBL7811456 0.81 MAPT (0.49) ALDH1A1MAPTTSHRUSP2LMNA
SCHEMBL7810031 0.81 MAPT (0.49) ALDH1A1MAPTTSHRUSP2LMNA
SCHEMBL7814066 0.81 ALDH1A1 (0.54) ALDH1A1MAPTTSHRUSP2LMNA
SCHEMBL7813961 0.81 KMT2A (0.51) ALDH1A1CYP2C9MAPTTSHRLMNA

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