SCHEMBL7794794

SCHEMBL7794794

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
HSPA5 P11021 1/20 0.36
TNFRSF1A P19438 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
FFAR1 O14842 1/20 0.35

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
SCHEMBL7794823 0.86 RXRA (0.41) TNFRSF1ACYP2C9CYP2C19FFAR1
SCHEMBL7794952 0.84 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL7796511 0.80 TNFRSF1A (0.42) ALDH1A1POLBTNFRSF1AFFAR1
SCHEMBL7794800 0.79 ALDH1A1 (0.40) ALDH1A1CYP2C9CYP2C19
SCHEMBL7792507 0.79 NR1H4 (0.45) POLBTNFRSF1AFFAR1
SCHEMBL7794824 0.78 ALDH1A1 (0.39) ALDH1A1TNFRSF1AFFAR1
SCHEMBL20749412 0.77 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL5083890 0.74 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL7786605 0.74 HSPA5 (0.44) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL13941924 0.73 CYP2C9 (0.48) SMN1; SMN2ALDH1A1CA2POLBTYR

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 5 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
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed