SCHEMBL7796511

SCHEMBL7796511

COc1c(C(C)(C)C)cc(C(C)CC(=O)O)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.42
FFAR1 O14842 5/20 0.41
KCNH2 Q12809 3/20 0.37
PTGS2 P35354 1/20 0.35
VCAM1 P19320 2/20 0.35
NR1H4 Q96RI1 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
RARG P13631 1/20 0.34
RXRA P19793 1/20 0.34
PPARG P37231 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
SCHEMBL7794824 0.91 ALDH1A1 (0.39) TNFRSF1AFFAR1KCNH2ALDH1A1TSHR
SCHEMBL1278621 0.82 GLRA3 (0.46) FFAR1VCAM1POLBALDH1A1TSHR
SCHEMBL10769690 0.82 GLRA3 (0.46) FFAR1VCAM1POLBALDH1A1TSHR
SCHEMBL7786568 0.81 WDR5 (0.46) FFAR1POLBMAPTRARG
SCHEMBL7794823 0.80 RXRA (0.41) TNFRSF1AFFAR1VCAM1TSHRRARG
SCHEMBL7794794 0.80 SMN1; SMN2 (0.39) TNFRSF1AFFAR1POLBALDH1A1
SCHEMBL5567888 0.77 CYP2C9 (0.46) FFAR1POLBALDH1A1TSHRTDP1
SCHEMBL7792915 0.75 FFAR1 (0.45) FFAR1NR1H4ALDH1A1MAPTRARG
SCHEMBL7792507 0.75 NR1H4 (0.45) TNFRSF1AFFAR1NR1H4POLB
SCHEMBL14318986 0.74 PTGS2 (0.43) TNFRSF1AKCNH2PTGS2ALDH1A1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
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
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed