SCHEMBL9708653

SCHEMBL9708653

CC1(C)CC(O)CC(C)(C)N1C(=O)NC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.42
EPHX1 P07099 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 1/20 0.42
EPHX2 P34913 1/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL11436628 0.83 HTT (0.50) HTTMAPK1NPSR1ALDH1A1KDM4E
SCHEMBL10719836 0.70 MAPK1 (0.40) HTTMAPK1NPSR1ALDH1A1KDM4E
SCHEMBL4397011 0.69 HTT (0.92) HTTMAPK1NPSR1ALDH1A1KDM4E
SCHEMBL2454323 0.68 HPGD (0.57) MAPK1NPSR1ALDH1A1HPGDEPHX1
SCHEMBL7519998 0.68 SMN1; SMN2 (0.40) MAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL4756400 0.68 APLNR (0.36) SMN1; SMN2
SCHEMBL28456420 0.68 GAA (0.33) SMN1; SMN2
SCHEMBL10366988 0.67 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2EPHX2LMNA
SCHEMBL4811500 0.67 HTT (0.61) HTTMAPK1ALDH1A1KDM4EEPHX1
SCHEMBL4811491 0.67 HTT (0.61) HTTMAPK1ALDH1A1KDM4EEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220034-B1 MALONATE DERIVATIVES USEFUL AS LIGHT STABILIZERS FOR PLASTICS ICI AMERICAS INC. (US) 1992-06-24 EP disclosed
US-4710527-A STERICALLY HINDERED SPIROACETALS OF POLYALKYLPIPERIDIN-4-ONES ICI AMERICAS INC. (US) 1987-12-01 US disclosed
US-4701485-A Malonate-based light stabilizers for plastics ICI AMERICAS INC. (US) 1987-10-20 US disclosed
EP-0222512-A2 Malonate compounds useful as light stabilizers for plastics CYTEC TECHNOLOGY CORP. (US) 1987-05-20 EP disclosed
EP-0220034-A2 Malonate derivatives useful as light stabilizers for plastics ICI AMERICAS INC. (US) 1987-04-29 EP disclosed