SCHEMBL7940460

SCHEMBL7940460

Cc1cc(COCCO)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
ALDH1A1 P00352 7/20 0.43
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GSR P00390 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 4/20 0.42
LMNA P02545 3/20 0.42
HIF1A Q16665 3/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL7933787 0.91 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL7944987 0.90 ALDH1A1 (0.51) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL7941240 0.90 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL10460178 0.85 SHBG (0.41) ALDH1A1MAPK1TSHRMEN1KMT2A
SCHEMBL11518107 0.84 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL2678823 0.82 ESR1 (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL8397543 0.82 ALDH1A1 (0.35) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL11650738 0.81 ALDH1A1 (0.53) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL7941099 0.81 ALDH1A1 (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL1783421 0.80 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1

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-5874494-A DETERIORATION STABILIZER FOR THERMOPLASTIC RESIN; OXIDATION RESISTANCE, DISCOLORATION INHIBITION, HEAT RESISTANCE, CROSSLINKING INHIBITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed