SCHEMBL7944931

SCHEMBL7944931

CCC(CO)OCc1cc(C(C)(C)C)cc(C(C)(C)C)c1OC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RARG P13631 1/20 0.33
RXRA P19793 1/20 0.33
PPARG P37231 1/20 0.33
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
F2R P25116 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
SCHEMBL7940426 0.87 HSPA5 (0.38) TSHRCYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL7944827 0.86 RARG (0.34) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6407060 0.77 MAPT (0.42) TSHRCYP3A4CYP2C19RARGRXRA
SCHEMBL7941333 0.76 F2R (0.33) TSHRALDH1A1TDP1F2R
SCHEMBL8397544 0.75 RARG (0.35) TSHRCYP3A4CYP2C19RARGRXRA
SCHEMBL13368066 0.75 RXRA (0.40) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7944818 0.73 HSPA5 (0.40) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6567748 0.72 RARG (0.36) TSHRCYP3A4CYP2C19RARGRXRA
SCHEMBL8399034 0.71 KMT2A (0.51) CYP1A2CYP2C9CYP2C19RARGRXRA
SCHEMBL4736076 0.71 RXRA (0.40) TSHRCYP2C19RARGRXRAPPARG

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