SCHEMBL7944926

SCHEMBL7944926

CC(C)(C)c1cccc(CNCCCCO)c1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.46
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
GSR P00390 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SCN2A Q99250 1/20 0.42
ATM Q13315 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
CHRM2 P08172 3/20 0.41
MPO P05164 1/20 0.40
SLC6A4 P31645 1/20 0.40
SCN8A Q9UQD0 1/20 0.39
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 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 0.95 CA2 (0.47) CA2CA12CA9GSRKDM4E
SCHEMBL7943010 0.89 GSR (0.55) CA2CA12CA9GSRKDM4E
SCHEMBL15512896 0.84 CA2 (0.59) CA2CA12GSRALDH1A1TSHR
SCHEMBL6567369 0.80 CA2 (0.53) CA2ALDH1A1TSHRATMGABRA1
SCHEMBL6568762 0.78 CA2 (0.52) CA2KDM4EALDH1A1TSHRATM
SCHEMBL6568673 0.78 CA2 (0.52) CA2KDM4EALDH1A1TSHRATM
SCHEMBL7940416 0.78 GSR (0.50) CA2CA12CA9GSRKDM4E
SCHEMBL7933606 0.78 HSPA5 (0.55) CA2CA12CA9GSRKDM4E
SCHEMBL6567771 0.78 CA2 (0.55) CA2KDM4EALDH1A1TSHRATM
SCHEMBL7941452 0.76 GAA (0.45) CA2KDM4E

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