SCHEMBL7794824

SCHEMBL7794824

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
FFAR1 O14842 6/20 0.39
CTSA P10619 2/20 0.36
TNFRSF1A P19438 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
KCNH2 Q12809 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
SCHEMBL7796511 0.91 TNFRSF1A (0.42) ALDH1A1FFAR1TNFRSF1ATSHRTDP1
SCHEMBL5567888 0.81 CYP2C9 (0.46) ALDH1A1FFAR1TSHRTDP1
SCHEMBL7794794 0.78 SMN1; SMN2 (0.39) ALDH1A1FFAR1TNFRSF1A
SCHEMBL1278621 0.77 GLRA3 (0.46) ALDH1A1FFAR1TSHRTDP1
SCHEMBL10769690 0.77 GLRA3 (0.46) ALDH1A1FFAR1TSHRTDP1
SCHEMBL24344715 0.77 CYP1A2 (0.38) ALDH1A1TNFRSF1ATSHRTDP1
SCHEMBL7794800 0.76 ALDH1A1 (0.40) ALDH1A1CTSATAS1R3TAS1R1TSHR
SCHEMBL7786568 0.76 WDR5 (0.46) FFAR1CTSAS1PR1S1PR3S1PR5
SCHEMBL7794823 0.75 RXRA (0.41) FFAR1TNFRSF1ATSHR
SCHEMBL7796619 0.74 NR1H4 (0.45) ALDH1A1TNFRSF1ATSHRTDP1

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