SCHEMBL7933883

SCHEMBL7933883

COc1c(C)cc(CCCC(=O)OCCO)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.39
ALDH1A1 P00352 1/20 0.38
MGLL Q99685 1/20 0.34
CNR2 P34972 1/20 0.34
ALOX5 P09917 1/20 0.34
HPGD P15428 1/20 0.34
TNKS2 Q9H2K2 2/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7933635 0.94 VCAM1 (0.41) VCAM1ALDH1A1CNR2ALOX5HPGD
SCHEMBL7940264 0.94 VCAM1 (0.41) VCAM1ALDH1A1CNR2ALOX5HPGD
SCHEMBL7940447 0.93 ALDH1A1 (0.44) VCAM1ALDH1A1ALOX5GAACYP4F2
SCHEMBL7944826 0.93 VCAM1 (0.40) VCAM1MGLLCNR2ALOX5TNKS2
SCHEMBL7940376 0.88 CNR2 (0.37) VCAM1MGLLCNR2ALOX5CYP4F2
SCHEMBL7943087 0.88 ALDH1A1 (0.42) VCAM1ALDH1A1ALOX5TNKS2CYP3A4
SCHEMBL7944487 0.88 VCAM1 (0.43) VCAM1ALDH1A1CNR2ALOX5TNKS2
SCHEMBL7941137 0.86 VCAM1 (0.42) VCAM1ALDH1A1CNR2ALOX5TNKS2
SCHEMBL7944812 0.85 GAA (0.42) VCAM1ALDH1A1MGLLCNR2HPGD
SCHEMBL8432326 0.85 KMT2A (0.38) VCAM1ALDH1A1ALOX5CYP3A4GAA

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