SCHEMBL9011228

SCHEMBL9011228

CC(C)(Oc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)O.CC(C)C(=O)OOc1cccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
MAPT P10636 4/20 0.43
TSHR P16473 3/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
NPY2R P49146 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
SLC6A7 Q99884 1/20 0.40
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NOD2 Q9HC29 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
SCHEMBL9011034 0.93 NPSR1 (0.44) MAPTTSHRUSP2GLAMEN1
SCHEMBL9011007 0.87 KMT2A (0.45) MAPTTSHRUSP2MEN1KMT2A
SCHEMBL7814074 0.83 SMN1; SMN2 (0.53) HSP90AA1MAPTTSHRMEN1KMT2A
SCHEMBL7813608 0.83 MAPT (0.57) HSP90AA1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL7814258 0.81 TSHR (0.61) MAPTTSHRUSP2GLANPY2R
SCHEMBL7810154 0.80 MEN1 (0.60) MAPTTSHRUSP2NPY2RMEN1
SCHEMBL7814070 0.78 SMN1; SMN2 (0.54) HSP90AA1MAPTTSHRUSP2MEN1
SCHEMBL7813606 0.78 MAPT (0.58) HSP90AA1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL7813660 0.78 MAPT (0.56) MAPTTSHRUSP2MEN1KMT2A
SCHEMBL9011142 0.77 MAPT (0.42) MAPTTSHRUSP2GLAMEN1

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
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