SCHEMBL9543151

SCHEMBL9543151

C=C(C)CCCOC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 3/20 0.38
EPHX1 P07099 1/20 0.36
BTN3A1 O00481 1/20 0.34
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.32
CYP3A4 P08684 1/20 0.32
HCAR2 Q8TDS4 2/20 0.31
ATM Q13315 1/20 0.31
NAAA Q02083 1/20 0.30
DGKA P23743 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL9540463 0.86
SCHEMBL5544171 0.84 ALDH1A1 (0.56) TSHRALDH1A1EPHX1BTN3A1HPGD
SCHEMBL9543143 0.82 TSHR (0.39) TSHRALDH1A1EPHX1BTN3A1HPGD
SCHEMBL11296855 0.81 ALDH1A1 (0.43) TSHRALDH1A1HCAR2ATMNAAA
SCHEMBL22440439 0.80 TSHR (0.62) TSHRALDH1A1EPHX1BTN3A1HPGD
SCHEMBL21986666 0.78 NAAA (0.55) TSHRALDH1A1EPHX1HPGDHTT
SCHEMBL21986674 0.77 ALDH1A1 (0.54) TSHRALDH1A1EPHX1CYP3A4NAAA
SCHEMBL21986667 0.77 DGKA (0.48) TSHRALDH1A1HPGDNAAADGKA
SCHEMBL8460859 0.77 TSHR (0.63) TSHRALDH1A1EPHX1HPGDTHRB
SCHEMBL31140196 0.77 HCAR2 (0.62) TSHRALDH1A1HPGDTDP1CYP3A4

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
WO-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 WO disclosed