SCHEMBL5604174

SCHEMBL5604174

CCCCOC(=O)N1CCCC(C(=O)c2cccc(Cl)c2-c2cccc(C)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
REN P00797 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
KDM2B Q8NHM5 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2850274 0.84 KAT6A (0.49) POLBKMT2AMEN1RENALDH1A1
SCHEMBL2850273 0.84 KAT6A (0.49) POLBKMT2AMEN1RENALDH1A1
SCHEMBL2847273 0.83 POLB (0.47) POLBKMT2AMEN1ALDH1A1KDM2B
SCHEMBL4972565 0.82 POLB (0.48) POLBKMT2AMEN1TSHRALDH1A1
SCHEMBL4972119 0.78 HRH2 (0.47) POLBKMT2AMEN1TSHRALDH1A1
SCHEMBL5592323 0.77 POLB (0.42) POLBKMT2AMEN1RENALDH1A1
SCHEMBL3123201 0.76 USP30 (0.47) POLBKMT2AMEN1RENALDH1A1
SCHEMBL3123197 0.76 USP30 (0.47) POLBKMT2AMEN1RENALDH1A1
SCHEMBL276588 0.76 KMT2A (0.57) POLBKMT2AMEN1TSHRALDH1A1
SCHEMBL2846275 0.75 POLB (0.45) POLBKMT2AMEN1RENALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed