SCHEMBL7798997

SCHEMBL7798997

CCCC(O)(O)OC(=O)c1ccc(C(=O)OC(C)(O)OC(=O)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
PLA2G4B P0C869 2/20 0.38
ELANE P08246 1/20 0.37
KMT2A Q03164 2/20 0.37
SRD5A2 P31213 1/20 0.37
RARB P10826 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL1648606 0.94 MAPT (0.49) MAPTALDH1A1TP53TSHRCYP1A2
SCHEMBL1648605 0.87 TSHR (0.43) MAPTALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL23532587 0.82 LMNA (0.53) MAPTALDH1A1TP53TSHRCYP1A2
SCHEMBL2788009 0.80 ALDH1A1 (0.52) MAPTALDH1A1TP53TSHRCYP1A2
SCHEMBL351316 0.78 TSHR (0.50) MAPTALDH1A1TP53TSHRRXRA
SCHEMBL6906427 0.78 MAPT (0.46) MAPTALDH1A1TP53TSHRCYP1A2
SCHEMBL27508833 0.76 ALDH1A1 (0.50) MAPTALDH1A1TP53TSHRCYP1A2
SCHEMBL3085264 0.75 MAPT (0.43) MAPTALDH1A1TP53TSHRCYP1A2
SCHEMBL7115499 0.75 TSHR (0.50) MAPTALDH1A1TP53TSHRRXRA
SCHEMBL20640362 0.74 TDP1 (0.50) MAPTALDH1A1TSHRCYP1A2CYP2D6

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
EP-0747323-B1 Intercalates; exfoliates; process for manufacturing intercalates and exfoliates and composite materials containing same AMCOL INTERNATIONAL CORP (US) 2001-12-12 EP claimed
EP-0747323-A1 Intercalates; exfoliates; process for manufacturing intercalates and exfoliates and composite materials containing same AMCOL INTERNATIONAL CORPORATION (US) 1996-12-11 EP claimed