SCHEMBL2727802

SCHEMBL2727802

Cc1cc(OCCCC(C)(C)C(=O)O)c(C)cc1O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.66
CYP2C9 P11712 2/20 0.66
TSHR P16473 2/20 0.66
CYP2C8 P10632 2/20 0.66
TTR P02766 1/20 0.66
CYP1A2 P05177 1/20 0.66
CHRM1 P11229 1/20 0.66
ADRA1A P35348 1/20 0.66
PPARG P37231 1/20 0.66
HTR2B P41595 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
SLCO1B3 Q9NPD5 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
CISD1 Q9NZ45 1/20 0.66
SLCO1B1 Q9Y6L6 1/20 0.66
NR1H4 Q96RI1 1/20 0.42
GUCY1A1 Q02108 1/20 0.41
GUCY1B1 Q02153 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL11090319 0.92 PPARA (0.75) PPARACYP2C9TSHRCYP2C8TTR
SCHEMBL9701964 0.87 PPARA (0.68) PPARACYP2C9TSHRCYP2C8TTR
SCHEMBL9701998 0.87 PPARA (0.68) PPARACYP2C9TSHRCYP2C8TTR
SCHEMBL9702591 0.87 PPARA (0.68) PPARACYP2C9TSHRCYP2C8TTR
SCHEMBL29840766 0.84 PPARA (0.64) PPARACYP2C9TSHRCYP2C8TTR
SCHEMBL21753575 0.84 PPARA (0.64) PPARACYP2C9TSHRCYP2C8TTR
SCHEMBL13284589 0.84 PPARA (0.64) PPARACYP2C9TSHRCYP2C8TTR
SCHEMBL21753581 0.84 PPARA (0.64) PPARACYP2C9TSHRCYP2C8TTR
SCHEMBL9463720 0.84 PPARA (0.64) PPARACYP2C9TSHRCYP2C8TTR
SCHEMBL9463457 0.81 PPARA (0.60) PPARACYP2C9TSHRCYP2C8TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009081117-A1 ANTIBACTERIAL COMBINATION THERAPY FOR THE TREATMENT OF GRAM POSITIVE BACTERIAL INFECTIONS E-THERAPEUTICS PLC (GB) 2009-07-02 WO claimed
US-20210169959-A1 TERMINALIA FERDINANDIANA EXTRACT AND PRODUCTS CONTAINING EXTRACT OF TERMINALIA FERDINANDIANA FOR ANTIMICROBIAL OR ANTIBACTERIAL APPLICATIONS RISING PHOENIX IND PTY LTD (AU) 2021-06-10 US disclosed
EP-3618844-A1 TERMINALIA FERDINANDIANA EXTRACT AND PRODUCTS CONTAINING EXTRACT OF TERMINALIA FERDINANDIANA FOR ANTIMICROBIAL OR ANTIBACTERIAL APPLICATIONS Rising Phoenix Industries Pty Ltd (AU) 2020-03-11 EP disclosed
CN-110869037-A Terminalia catappa extract for antimicrobial or antibacterial use and product containing the same 瑞星菲尼克斯工业公司 2020-03-06 CN disclosed
WO-2018201196-A1 TERMINALIA FERDINANDIANA EXTRACT AND PRODUCTS CONTAINING EXTRACT OF TERMINALIA FERDINANDIANA FOR ANTIMICROBIAL OR ANTIBACTERIAL APPLICATIONS Rising Phoenix Industries Pty Ltd (AU) 2018-11-08 WO disclosed
WO-2017063017-A1 TREATMENT OR PREVENTION OF GIARDIASIS WITH A BIOLOGICALLY ACTIVE EXTRACT FROM TERMINALIA FERDINANDIANA FRUIT GUNAGUDDYA PTY LTD (AU) 2017-04-20 WO disclosed
WO-2012058298-A1 BIOMARKERS OF REDUCED INSULIN ACTION MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2012-05-03 WO disclosed
US-5166398-A Anticholesterol agents or atherosclerosis WARNER-LAMBERT CO. (US) 1992-11-24 US disclosed