SCHEMBL6032201

SCHEMBL6032201

CCC1(C)CC(=O)CC(C)(CC)N1OCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.39
BACE1 P56817 2/20 0.39
ALDH1A1 P00352 1/20 0.38
ELANE P08246 3/20 0.36
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL6435277 0.84 MEN1 (0.42) DHFRBACE1ALDH1A1ELANEGAA
SCHEMBL6031955 0.74 ALDH1A1 (0.34) DHFRBACE1ALDH1A1ELANEGAA
SCHEMBL27875517 0.72 DHFR (0.44) DHFRALDH1A1CA1CA2CA9
SCHEMBL27557336 0.71 ELANE (0.35) DHFRBACE1ALDH1A1ELANE
SCHEMBL4621770 0.71 DHFR (0.43) DHFRALDH1A1ATM
SCHEMBL31299006 0.65 ALOX12 (0.60) ALDH1A1GAAL3MBTL1POLBCA1
SCHEMBL13720761 0.64 GAA (0.36) GAALMNA
SCHEMBL9824285 0.64 KMT2A (0.50) BACE1ALDH1A1ELANEGAAL3MBTL1
SCHEMBL23705024 0.62 ALDH1A1 (0.46) ALDH1A1ELANEGAA
SCHEMBL10813336 0.62 ELANE (0.50) ALDH1A1ELANEGAANPSR1

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
US-20060229407-A1 Light stabilising polymer dispersants in pigment dispersions CIBA SPECIALTY CHEMICALS CORP. 2006-10-12 US disclosed