SCHEMBL6908477

SCHEMBL6908477

Cc1cc(C(=O)O)cc2ccccc12.[In]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2A6 P11509 2/20 0.52
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TTR P02766 2/20 0.48
PTPN1 P18031 1/20 0.47
MAPT P10636 1/20 0.47
GRIN2D O15399 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2C Q14957 1/20 0.44
MGAM O43451 1/20 0.43
TPMT P51580 1/20 0.42
CTRC Q99895 1/20 0.42

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
SCHEMBL3388906 0.98 PTGER4 (0.54) PTGER4CYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL6910009 0.96 PTGER4 (0.52) PTGER4CYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL6914818 0.96 PTGER4 (0.52) PTGER4CYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL6912796 0.96 PTGER4 (0.52) PTGER4CYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL6912723 0.96 PTGER4 (0.52) PTGER4CYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL6914812 0.96 PTGER4 (0.52) PTGER4CYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL6908473 0.96 PTGER4 (0.52) PTGER4CYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL6915188 0.96 PTGER4 (0.52) PTGER4CYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL6915193 0.96 PTGER4 (0.52) PTGER4CYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL6918699 0.96 PTGER4 (0.52) PTGER4CYP1A2CYP2A6ALDH1A1MEN1

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