SCHEMBL30019216

SCHEMBL30019216

C=COCCOC=C.Cc1cc(C(C)(C)C)cc(CCC(=O)O)c1O.Cc1cc(C(C)(C)C)cc(CCC(=O)O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
RXRA P19793 3/20 0.39
RXRB P28702 3/20 0.39
RXRG P48443 2/20 0.39
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CD69 Q07108 2/20 0.35
ELANE P08246 1/20 0.35
POLB P06746 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 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
SCHEMBL5608318 0.87 NPSR1 (0.55) NR1H4NPSR1RXRARXRBRXRG
SCHEMBL29368017 0.81 HSPA5 (0.48) NR1H4NPSR1CYP2C19CYP2C9CYP2D6
SCHEMBL136580 0.81 HSPA5 (0.48) NR1H4NPSR1CYP2C19CYP2C9CYP2D6
SCHEMBL29663822 0.79 GAA (0.44) NPSR1RXRARXRBRXRGCYP2C19
SCHEMBL2918891 0.79 GAA (0.44) NPSR1RXRARXRBRXRGCYP2C19
Propionic Acid SCHEMBL30390758 0.76 GAA (0.42) NPSR1RXRARXRBRXRGCYP2C19
Allyl Alcohol SCHEMBL28219119 0.74 NR1H4 (0.41) NR1H4NPSR1RXRARXRBRXRG
SCHEMBL265814 0.74 NR1H4 (0.48) NR1H4NPSR1RXRARXRBRXRG
SCHEMBL30206727 0.74 NR1H4 (0.48) NR1H4NPSR1RXRARXRBRXRG
SCHEMBL30186005 0.74 CYP2C19 (0.39) NR1H4NPSR1RXRARXRBCYP2C19

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
US-20240301107-A1 ACRYLIC RUBBER, RUBBER COMPOSITION AND RUBBER CROSSLINKED PRODUCT ZEON CORPORATION (JP) 2024-09-12 US disclosed
CN-116601224-A Insulated wire and information transmission cable 住友电气工业株式会社 2023-08-15 CN disclosed
CN-115943468-A Magnetic resin composition for injection molding and injection molded article for magnetic shield 东洋油墨SC控股株式会社 2023-04-07 CN disclosed
CN-112449649-B Adhesive and adhesive sheet 东洋油墨SC控股株式会社 2022-10-21 CN disclosed