SCHEMBL9011142

SCHEMBL9011142

CC(C)(Oc1ccccc1N1CCN(C(=O)c2cccs2)CC1)C(=O)O.CC(C)C(=O)OOc1cccc(N2CCN(C(=O)c3ccco3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ALDH1A1 P00352 7/20 0.42
USP2 O75604 4/20 0.42
TSHR P16473 3/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.39
KCNA5 P22460 1/20 0.39
NPC1 O15118 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
OPRM1 P35372 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7817566 0.80 MAPT (0.55) MAPTALDH1A1GAAKMT2ALMNA
SCHEMBL7814238 0.80 MAPT (0.61) MAPTALDH1A1USP2TSHRGAA
SCHEMBL7813784 0.78 ALDH1A1 (0.59) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL7812835 0.78 ALDH1A1 (0.59) MAPTALDH1A1TSHRGAAKMT2A
SCHEMBL9011228 0.77 HSP90AA1 (0.45) MAPTALDH1A1USP2TSHRKMT2A
SCHEMBL9011007 0.77 KMT2A (0.45) MAPTALDH1A1USP2TSHRKMT2A
SCHEMBL9011034 0.76 NPSR1 (0.44) MAPTALDH1A1USP2TSHRKMT2A
SCHEMBL7814104 0.75 KCNA5 (0.58) MAPTALDH1A1GAAKMT2ALMNA
SCHEMBL7804606 0.75 MAPT (0.63) MAPTALDH1A1USP2TSHRGAA
SCHEMBL7813660 0.69 MAPT (0.56) MAPTALDH1A1USP2TSHRKMT2A

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