SCHEMBL6281801

SCHEMBL6281801

CCC(C(C)=O)C(=O)O.CCC(C(C)=O)C(=O)O.CCCCOC(C(C)=O)C(=O)O.[Zr]

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 2/20 0.35
CA2 P00918 1/20 0.35
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ATM Q13315 1/20 0.32
PLA2G4B P0C869 1/20 0.31
MAPT P10636 1/20 0.31
GPR84 Q9NQS5 3/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL28370339 0.91 ALDH1A1 (0.43) ALDH1A1MAPK1CA2TP53TSHR
SCHEMBL7481417 0.89 ALDH1A1 (0.45) ALDH1A1MAPK1CA2TP53TSHR
SCHEMBL5767265 0.84 CES2 (0.42) ALDH1A1TP53TSHRHCAR2PLA2G4B
SCHEMBL27658485 0.82 ALDH1A1 (0.48) ALDH1A1MAPK1TP53TSHRHCAR2
SCHEMBL27976884 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1TP53TSHRHCAR2
SCHEMBL27637536 0.78 ALDH1A1 (0.48) ALDH1A1MAPK1TP53TSHRHCAR2
SCHEMBL1077670 0.77 ALDH1A1 (0.41) ALDH1A1MAPK1CA2TSHRHCAR2
SCHEMBL11097100 0.77 ALDH1A1 (0.41) ALDH1A1MAPK1CA2TSHRHCAR2
SCHEMBL2671988 0.76 ALDH1A1 (0.39) ALDH1A1MAPK1CA2TSHRHCAR2
SCHEMBL21544059 0.76 ALDH1A1 (0.39) ALDH1A1MAPK1CA2TSHRHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6909444-B2 Transfer ribbon, image expressing medium and method for production of them DAI NIPPON PRINTING CO., LTD. (JP) 2005-06-21 US disclosed
US-20040080606-A1 Transfer ribbon, image expressing medium and method for production of them DAI NIPPON PRINTING CO., LTD. (JP) 2004-04-29 US disclosed