SCHEMBL11279409

SCHEMBL11279409

C=CC(=O)OCCCCCCN(CCCC)CCCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.68
HPGD P15428 1/20 0.68
ALDH1A1 P00352 3/20 0.63
CYP3A4 P08684 2/20 0.63
HCAR2 Q8TDS4 3/20 0.47
ATM Q13315 1/20 0.47
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
DRD3 P35462 1/20 0.42
SCN1A P35498 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN2A Q99250 1/20 0.42

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
SCHEMBL2830765 0.98 TSHR (0.70) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL14956998 0.97 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL11284074 0.97 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL11314790 0.95 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL11281829 0.93 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL11309558 0.93 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL1235392 0.93 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL8415195 0.93 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL142508 0.93 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL11306794 0.92 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2

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-0047009-A1 Hydrophilic interpolymers of acrylic acid and an olefin or a styrene The B.F. GOODRICH Company (US) 1982-03-10 EP disclosed