SCHEMBL5176176

SCHEMBL5176176

C=C(C)C.C=C(C)C.C=CC(=O)OCCCCO

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.67
ALDH1A1 P00352 4/20 0.67
CYP3A4 P08684 2/20 0.67
HPGD P15428 1/20 0.60
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
HSD17B10 Q99714 1/20 0.50
THRB P10828 2/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.39
ACHE P22303 6/20 0.39
HCAR2 Q8TDS4 1/20 0.38
APP P05067 1/20 0.38

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
Methyl Alcohol SCHEMBL27871481 0.92 TSHR (0.72) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25556 0.92 TSHR (0.78) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL31481208 0.92 TSHR (0.78) TSHRALDH1A1CYP3A4HPGDTP53
Methacrylic Acid SCHEMBL1471526 0.91 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
Alcohol SCHEMBL23248435 0.90 TSHR (0.69) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5918785 0.90 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11654713 0.90 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2778062 0.90 TSHR (0.75) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL7717221 0.90 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
1,6-Hexanediol SCHEMBL1954486 0.90 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651684-B1 ETHERIFIED CARBAMATE FUNCTIONAL COPOLYMERS OF ISOBUTYLENE TYPE MONOMERS, AND THEIR USE IN CURABLE COMPOSITIONS PPG IND OHIO INC (US) 2007-11-07 EP disclosed