SCHEMBL7940177

SCHEMBL7940177

CCOc1c(C(C)(C)C)cc(CCCC(=O)OCCCO)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.40
CNR2 P34972 6/20 0.39
CNR1 P21554 6/20 0.36
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BRD4 O60885 1/20 0.35
DGKA P23743 1/20 0.35
ALOX5 P09917 1/20 0.34
TNKS2 Q9H2K2 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
SCHEMBL7940366 0.96 VCAM1 (0.41) VCAM1CNR2CNR1CYP4F2CYP4A11
SCHEMBL7942347 0.94 CNR2 (0.40) VCAM1CNR2CNR1CYP4F2CYP4A11
SCHEMBL7933682 0.94 CYP4F2 (0.43) VCAM1CNR2CYP4F2CYP4A11POLB
SCHEMBL7933900 0.93 VCAM1 (0.38) VCAM1CNR2CNR1CYP4F2CYP4A11
SCHEMBL7943173 0.90 CYP4F2 (0.42) VCAM1CNR2CNR1CYP4F2CYP4A11
SCHEMBL7944732 0.90 VCAM1 (0.39) VCAM1CNR2CNR1CYP4F2CYP4A11
SCHEMBL7941137 0.88 VCAM1 (0.42) VCAM1CNR2CNR1ALDH1A1TDP1
SCHEMBL7933661 0.87 CYP4F2 (0.42) VCAM1CNR2CYP4F2CYP4A11POLB
SCHEMBL7940376 0.87 CNR2 (0.37) VCAM1CNR2CNR1CYP4F2CYP4A11
SCHEMBL8430285 0.86 POLB (0.38) VCAM1POLBALDH1A1

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 3 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
US-5891939-A POLYMER STABILIZERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-06 US disclosed