SCHEMBL8999977

SCHEMBL8999977

C=CC(=O)OCCCCCC(C)C.C=CC(=O)OCCCCCCC(C)C

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.70
ALDH1A1 P00352 4/20 0.70
CYP3A4 P08684 2/20 0.70
HPGD P15428 1/20 0.58
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCAR2 Q8TDS4 2/20 0.40
ESR1 P03372 1/20 0.39
ATM Q13315 1/20 0.38
RARB P10826 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL1260225 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL35574 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2778020 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25275202 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25270629 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25228041 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25275191 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25281286 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL20503422 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL15260792 1.00 TSHR (0.70) 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-0617708-B1 TACK-FREE ELASTOMERIC ACRYLATE MICROSPHERES MINNESOTA MINING & MFG (US) 1996-09-11 EP disclosed