SCHEMBL11096199

SCHEMBL11096199

C=CC(=O)OCCC(CCCCCC)C(C)(C)N

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 2/20 0.45
THRB P10828 3/20 0.39
FDPS P14324 1/20 0.39
HCAR2 Q8TDS4 2/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.37
THRA P10827 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCB1 P08183 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
Bromide SCHEMBL14856524 0.99 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL11099183 0.89 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB
Ammonia Solution, Strong SCHEMBL28057253 0.85 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4THRB
Bromide SCHEMBL28122787 0.81 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL3694457 0.81 TSHR (0.58) TSHRTHRBFDPSTHRAZDHHC7
SCHEMBL22318914 0.81 TSHR (0.58) TSHRTHRBFDPSTHRAZDHHC7
SCHEMBL8429135 0.80 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4THRB
Bromide SCHEMBL3698125 0.80 TSHR (0.56) TSHRTHRBFDPSTHRAZDHHC7
Hydrochloric Acid SCHEMBL10883860 0.80 TSHR (0.56) TSHRTHRBFDPSTHRAZDHHC7
SCHEMBL17292769 0.80 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4THRB

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
US-4473813-A CROSSLINKED SILICONE RESIN HITACHI, LTD. (JP) 1984-09-25 US disclosed