SCHEMBL7794800

SCHEMBL7794800

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CD69 Q07108 2/20 0.38
ELANE P08246 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
CTSA P10619 3/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
RXRG P48443 1/20 0.33

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 0.87 RXRA (0.41) CD69ELANERXRARXRBCYP1A2
SCHEMBL7940393 0.84 ALDH1A1 (0.41) ALDH1A1CD69ELANERXRARXRB
SCHEMBL7794794 0.79 SMN1; SMN2 (0.39) ALDH1A1CYP2C9CYP2C19
SCHEMBL7792669 0.77 CYP3A4 (0.54) ALDH1A1CD69RXRARXRBCYP1A2
SCHEMBL13843683 0.76 POLB (0.38)
SCHEMBL7794824 0.76 ALDH1A1 (0.39) ALDH1A1TAS1R3TAS1R1CTSATSHR
SCHEMBL7848211 0.74 POLB (0.48) ALDH1A1CD69ELANERXRARXRB
SCHEMBL6886563 0.73 RXRA (0.41) CD69ELANERXRARXRBCYP1A2
SCHEMBL7796088 0.73 RXRA (0.52) ALDH1A1CD69ELANERXRARXRB
SCHEMBL7792390 0.72 RORC (0.55) ALDH1A1CYP2C19

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