SCHEMBL9011034

SCHEMBL9011034

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 5/20 0.42
TSHR P16473 4/20 0.42
USP2 O75604 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 4/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 2/20 0.38
NOD2 Q9HC29 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
SCHEMBL9011228 0.93 HSP90AA1 (0.45) NPSR1ALDH1A1KDM4EMAPTTSHR
SCHEMBL9011007 0.86 KMT2A (0.45) NPSR1ALDH1A1KDM4EHPGDMAPT
SCHEMBL7813608 0.82 MAPT (0.57) NPSR1ALDH1A1MAPTTSHRLMNA
SCHEMBL7810031 0.82 MAPT (0.49) NPSR1ALDH1A1HPGDMAPTTSHR
SCHEMBL7810164 0.80 MEN1 (0.58) NPSR1ALDH1A1KDM4EHPGDMAPT
SCHEMBL7814258 0.80 TSHR (0.61) NPSR1ALDH1A1KDM4EHPGDMAPT
SCHEMBL7813606 0.78 MAPT (0.58) NPSR1ALDH1A1MAPTTSHRLMNA
SCHEMBL7810027 0.78 MAPT (0.50) NPSR1ALDH1A1KDM4EMAPTTSHR
SCHEMBL7813660 0.78 MAPT (0.56) ALDH1A1MAPTTSHRUSP2MEN1
SCHEMBL9011142 0.76 MAPT (0.42) ALDH1A1KDM4EMAPTTSHRUSP2

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