SCHEMBL7940306

SCHEMBL7940306

COc1c(C(C)(C)C)cc(CNCCO)c(C)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
GSR P00390 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 1/20 0.44
CD274 Q9NZQ7 8/20 0.38
PDCD1LG2 Q9BQ51 2/20 0.38
ALDH1A1 P00352 3/20 0.37
SCN2A Q99250 1/20 0.36
PDCD1 Q15116 6/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.34
CYP3A4 P08684 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
SCHEMBL7941230 0.82 GSR (0.59) KMT2AGSRCYP1A2CYP2D6CYP2C9
SCHEMBL7942407 0.81 KMT2A (0.51) KMT2AGSRCYP1A2CYP2D6CYP2C9
SCHEMBL8399034 0.81 KMT2A (0.51) KMT2AGSRCYP1A2CYP2D6CYP2C9
SCHEMBL7933595 0.78 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL7942257 0.77 GSR (0.69) KMT2AGSRCYP1A2CYP2D6CYP2C9
SCHEMBL7942460 0.76 ALDH1A1 (0.36) ALDH1A1TSHRCYP3A4
SCHEMBL7942370 0.75 GSR (0.61) KMT2AGSRCYP1A2CYP2D6CYP2C9
SCHEMBL7933641 0.75 ALDH1A1 (0.35) ALDH1A1TSHRCYP3A4
SCHEMBL7944731 0.74 GSR (0.49) KMT2AGSRCYP1A2CYP2D6CYP2C9
SCHEMBL8605372 0.74 ALDH1A1 (0.35) KMT2AALDH1A1TSHR

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