SCHEMBL7943010

SCHEMBL7943010

CC(C)(C)c1cccc(CNCCO)c1O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.55
CA2 P00918 6/20 0.50
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 3/20 0.43
CA12 O43570 5/20 0.41
SCN2A Q99250 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CA9 Q16790 4/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX12 P18054 1/20 0.38
MPO P05164 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7940433 0.91 CA2 (0.47) GSRCA2GABRA1GABRB2ALDH1A1
SCHEMBL7944926 0.89 CA2 (0.46) GSRCA2GABRA1GABRB2ALDH1A1
SCHEMBL15512896 0.88 CA2 (0.59) GSRCA2GABRA1GABRB2ALDH1A1
SCHEMBL7940282 0.80 ALDH1A1 (0.51) GSRALDH1A1KDM4EL3MBTL1PDCD1
SCHEMBL3809080 0.78 CA2 (0.59) GSRCA2GABRA1GABRB2ALDH1A1
SCHEMBL10706992 0.77 CA2 (0.64) CA2GABRA1GABRB2ALDH1A1ATM
SCHEMBL7933905 0.76 GSR (0.62) GSRCA2ALDH1A1ATMKDM4E
SCHEMBL7942924 0.76 GSR (0.62) GSRCA2ALDH1A1ATMKDM4E
SCHEMBL15936550 0.76 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1ATM
SCHEMBL15936557 0.76 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1ATM

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-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed