SCHEMBL7940264

SCHEMBL7940264

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.41
TNKS2 Q9H2K2 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CNR2 P34972 5/20 0.36
CYP3A4 P08684 1/20 0.35
F2R P25116 2/20 0.34
CNR1 P21554 4/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
ALOX5 P09917 1/20 0.33
HPGD P15428 1/20 0.33

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 0.98 VCAM1 (0.41) VCAM1TNKS2ALDH1A1CNR2CYP3A4
SCHEMBL7943087 0.94 ALDH1A1 (0.42) VCAM1TNKS2ALDH1A1CYP3A4F2R
SCHEMBL7933883 0.94 VCAM1 (0.39) VCAM1TNKS2ALDH1A1CNR2CYP3A4
SCHEMBL7944487 0.94 VCAM1 (0.43) VCAM1TNKS2ALDH1A1CNR2CYP3A4
SCHEMBL7941137 0.90 VCAM1 (0.42) VCAM1TNKS2ALDH1A1CNR2CYP3A4
SCHEMBL7944732 0.90 VCAM1 (0.39) VCAM1CNR2F2RCNR1S1PR1
SCHEMBL7940661 0.88 VCAM1 (0.41) VCAM1TNKS2ALDH1A1ALOX5
SCHEMBL7941216 0.87 VCAM1 (0.44) VCAM1TNKS2CNR2CNR1
SCHEMBL7940447 0.87 ALDH1A1 (0.44) VCAM1ALDH1A1S1PR1S1PR3ALOX5
SCHEMBL8434083 0.87 VCAM1 (0.38) VCAM1ALDH1A1CYP3A4F2RALOX5

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