SCHEMBL6914853

SCHEMBL6914853

CC1(CC(=O)[O-])CCCCC1.CC1(CC(=O)[O-])CCCCC1.CC1(CC(=O)[O-])CCCCC1.[In+3]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6909535 0.95 CYP2C19 (0.35) CYP2C19USP2ALDH1A1LMNACYP1A2
Zinc Ion SCHEMBL6916764 0.95 CYP2C19 (0.35) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL6914930 0.95 CYP2C19 (0.35) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL6918551 0.95 CYP2C19 (0.35) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL6913143 0.95 CYP2C19 (0.35) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL6908132 0.95 CYP2C19 (0.35) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL6909530 0.95 CYP2C19 (0.35) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL178371 0.76 CYP2C19 (0.54) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL27932912 0.76 CYP2C19 (0.38) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL6752945 0.76 CYP2C19 (0.38) CYP2C19USP2ALDH1A1LMNACYP1A2

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