SCHEMBL6909397

SCHEMBL6909397

CCc1ccc(C(=O)[O-])cc1.CCc1ccc(C(=O)[O-])cc1.CCc1ccc(C(=O)[O-])cc1.[In+3]

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.61
▸ CA1 P00915 12/20 0.59
▸ CA2 P00918 12/20 0.59
▸ PLK1 P53350 1/20 0.55
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ AGTR1 P30556 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46

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
SCHEMBL6909427 0.95 ALDH1A1 (0.61) ALDH1A1CA1CA2PLK1GAA
SCHEMBL6914482 0.95 ALDH1A1 (0.61) ALDH1A1CA1CA2PLK1SMN1; SMN2
Potassium Ion SCHEMBL6911291 0.95 ALDH1A1 (0.61) ALDH1A1CA1CA2PLK1GAA
SCHEMBL6909054 0.95 ALDH1A1 (0.61) ALDH1A1CA1CA2PLK1GAA
SCHEMBL6913292 0.95 ALDH1A1 (0.61) ALDH1A1CA1CA2PLK1GAA
Zinc Ion SCHEMBL6915462 0.95 ALDH1A1 (0.61) ALDH1A1CA1CA2PLK1GAA
SCHEMBL10547836 0.95 ALDH1A1 (0.61) ALDH1A1CA1CA2PLK1GAA
SCHEMBL8971473 0.95 CA2 (0.63) ALDH1A1CA1CA2PLK1SMN1; SMN2
SCHEMBL11301115 0.95 ALDH1A1 (0.61) ALDH1A1CA1CA2PLK1GAA
SCHEMBL6907759 0.95 ALDH1A1 (0.61) ALDH1A1CA1CA2PLK1GAA

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
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