SCHEMBL7944827

SCHEMBL7944827

COc1c(COC(C)CO)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARG P13631 1/20 0.34
RXRA P19793 1/20 0.34
PPARG P37231 1/20 0.34
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2C19 P33261 2/20 0.30
DHFR P00374 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL7944931 0.86 TSHR (0.34) RARGRXRAPPARGTSHRALDH1A1
SCHEMBL7944818 0.86 HSPA5 (0.40) TSHRALDH1A1TDP1CYP2C19DHFR
SCHEMBL6407060 0.79 MAPT (0.42) RARGRXRAPPARGTSHRALDH1A1
SCHEMBL8397544 0.77 RARG (0.35) RARGRXRAPPARGTSHRALDH1A1
SCHEMBL7942911 0.75 ALDH1A1 (0.34) TSHRALDH1A1TDP1DHFR
SCHEMBL13368066 0.74 RXRA (0.40) RARGRXRAPPARGTSHRALDH1A1
SCHEMBL6567748 0.74 RARG (0.36) RARGRXRAPPARGTSHRALDH1A1
SCHEMBL7940426 0.73 HSPA5 (0.38) TSHRALDH1A1TDP1CYP2C19CYP2C9
SCHEMBL6568810 0.72 RARG (0.36) RARGRXRAPPARGTSHRALDH1A1
SCHEMBL15590742 0.72 RXRA (0.36) RARGRXRAPPARGTSHRALDH1A1

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