SCHEMBL7933801

SCHEMBL7933801

CC(C)(C)c1cc(O)cc(CCC(=O)OCCO)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX5 P09917 1/20 0.40
CNR2 P34972 8/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CNR1 P21554 6/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
HSP90AB1 P08238 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
SCHEMBL30994977 0.90 APP (0.42) APPGABRA1GABRB2TDP1ALOX5
SCHEMBL31366150 0.90 APP (0.42) APPGABRA1GABRB2TDP1ALOX5
SCHEMBL7944737 0.84 ALOX5 (0.41) APPTDP1ALOX5CNR2CYP4F2
SCHEMBL887482 0.80 GAA (0.55) APPTDP1ALOX5
SCHEMBL8430361 0.78 MGLL (0.37) TDP1ALOX5CNR2CYP4F2CYP4A11
SCHEMBL3811969 0.77 RXRA (0.58) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL7942389 0.77 CYP2C19 (0.39) APPTDP1ALOX5CYP4F2CYP4A11
SCHEMBL30216006 0.76 TDP1 (0.41) APPTDP1ALOX5CYP4F2CYP4A11
SCHEMBL7796538 0.76 GAA (0.47) APPTDP1ALOX5CYP4F2CYP4A11
SCHEMBL31747055 0.76 GAA (0.47) APPTDP1ALOX5CYP4F2CYP4A11

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