SCHEMBL9504846

SCHEMBL9504846

C=CCC(Br)(CC=C)C(=O)NC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
POLB P06746 2/20 0.43
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
EZH2 Q15910 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GLA P06280 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
SCHEMBL9503903 0.77 POLB (0.50) GAAPOLBHTTKDM4EKMT2A
SCHEMBL13297925 0.72 GAA (0.51) GAAPOLBHTTKDM4EKMT2A
SCHEMBL4424405 0.72 GAA (0.51) GAAPOLBHTTKDM4EKMT2A
SCHEMBL250845 0.69 GAA (0.51) GAAPOLBHTTKDM4EKMT2A
SCHEMBL11464923 0.69 GAA (0.45) GAAPOLBHTTKDM4EKMT2A
SCHEMBL3295977 0.69 RECQL (0.57) GAAPOLBHTTKDM4EKMT2A
SCHEMBL10525290 0.69 RECQL (0.57) GAAPOLBHTTKDM4EKMT2A
SCHEMBL6234624 0.68 GAA (0.58) GAAPOLBHTTKDM4EKMT2A
SCHEMBL11715934 0.68 POLB (0.49) GAAPOLBHTTKDM4EKMT2A
SCHEMBL11653677 0.68 GAA (0.48) GAAPOLBHTTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0172413-B1 PROCESS FOR PRODUCING PIPERIDINE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-16 EP disclosed
US-5049604-A Heat, oxidation and light resistance SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-17 US disclosed
EP-0172413-A2 Process for producing piperidine derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-02-26 EP disclosed