SCHEMBL7942389

SCHEMBL7942389

Cc1cc(C(C)(C)C)cc(CCC(=O)OCCO)c1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
MGLL Q99685 1/20 0.35
APP P05067 1/20 0.35
ALOX5 P09917 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
VCAM1 P19320 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
HIF1A Q16665 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
SCHEMBL7941090 0.92 MGLL (0.39) CYP2C19CYP1A2CYP2D6CYP2C9CYP4F2
SCHEMBL30186005 0.90 CYP2C19 (0.39) CYP2C19CYP1A2CYP2D6CYP2C9CYP4F2
SCHEMBL15299821 0.90 CYP2C19 (0.39) CYP2C19CYP1A2CYP2D6CYP2C9CYP4F2
SCHEMBL7941206 0.88 VCAM1 (0.39) CYP2C19CYP1A2CYP2C9CYP4F2CYP4A11
SCHEMBL28042162 0.85 ESR1 (0.50) ALDH1A1
SCHEMBL11794029 0.85 VCAM1 (0.37) CYP2C19CYP1A2CYP2D6CYP2C9CYP4F2
SCHEMBL28321185 0.85 ESR1 (0.50) ALDH1A1
SCHEMBL28824201 0.85 ESR1 (0.50) ALDH1A1
SCHEMBL28042182 0.85 ESR1 (0.50) ALDH1A1
SCHEMBL28042380 0.85 ESR1 (0.50) ALDH1A1

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