SCHEMBL9577696

SCHEMBL9577696

C=CC(=O)OC1(C2CO2)CC1.C=CC(=O)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
HPGD P15428 1/20 0.58
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 3/20 0.38
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 2/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PRKCA P17252 2/20 0.34

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
SCHEMBL316721 0.89 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL15910521 0.85 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL258764 0.83
Acrylic Acid Methyl Ester SCHEMBL16337028 0.79
SCHEMBL11793976 0.78 ALDH1A1 (0.42) TSHRALDH1A1ATMTHRBNPSR1
SCHEMBL222966 0.76 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL28860014 0.76 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5681395 0.76 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL15037 0.76
SCHEMBL1330627 0.76

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
EP-0292251-B1 Aromatic polyester composition and process for producing the same TORAY INDUSTRIES (JP) 1993-11-24 EP disclosed
US-4879328-A MOLDING MATERIALS TORAY INDUSTRIES (JP) 1989-11-07 US disclosed
EP-0292251-A2 Aromatic polyester composition and process for producing the same TORAY INDUSTRIES, INC. (JP) 1988-11-23 EP disclosed