SCHEMBL6913046

SCHEMBL6913046

Cc1cccc(C(=O)[O-])c1C.Cc1cccc(C(=O)[O-])c1C.Cc1cccc(C(=O)[O-])c1C.[In+3]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TRPA1 O75762 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
PTGS2 P35354 2/20 0.44
HIF1A Q16665 2/20 0.44
AKR1B10 O60218 1/20 0.44
ABCB11 O95342 1/20 0.44

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
SCHEMBL30864325 0.96 KDM4E (0.48) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL31086313 0.96 ESR1 (0.47) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL1135927 0.96 ESR1 (0.47) ESR1ESR2ALDH1A1KDM4EHPGD
Potassium Ion SCHEMBL12474498 0.96 ESR1 (0.47) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL30786331 0.96 ESR1 (0.47) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL6916953 0.96 ESR1 (0.47) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL6917765 0.96 ESR1 (0.47) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL29832815 0.96 ESR1 (0.47) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL6915973 0.96 ESR1 (0.47) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL29819466 0.96 ESR1 (0.47) ESR1ESR2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed