SCHEMBL7941404

SCHEMBL7941404

COc1ccc(COCCO)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
KCNH2 Q12809 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
RARA P10276 2/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
S1PR1 P21453 5/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL9635394 0.83 GAA (0.43) ALDH1A1GAALMNATP53CYP3A4
SCHEMBL7940444 0.81 ALDH1A1 (0.50) ALDH1A1GAALMNATP53CYP3A4
SCHEMBL6568774 0.81 CYP3A4 (0.44) ALDH1A1GAALMNATP53CYP3A4
SCHEMBL9636833 0.80 GAA (0.46) ALDH1A1GAALMNATP53CYP3A4
SCHEMBL10204755 0.80 CYP3A4 (0.47) ALDH1A1GAALMNATP53CYP3A4
SCHEMBL7940053 0.80 DHFR (0.40) ALDH1A1GAALMNATP53CYP3A4
SCHEMBL6567720 0.78 TNKS2 (0.49) ALDH1A1GAALMNATP53CYP3A4
SCHEMBL8430386 0.77 ALOX5 (0.43) ALDH1A1GAALMNACYP3A4RARA
SCHEMBL6565864 0.77 TUBB4A (0.47) ALDH1A1GAALMNATP53CYP3A4
SCHEMBL7943166 0.77 ALDH1A1 (0.42) ALDH1A1GAALMNATP53CYP3A4

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