SCHEMBL9541449

SCHEMBL9541449

C=CCCCCOC([O])=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.48
LPAR2 Q9HBW0 1/20 0.48
ALDH1A1 P00352 6/20 0.46
TSHR P16473 4/20 0.46
CYP3A4 P08684 3/20 0.46
MAPT P10636 3/20 0.45
ABCC4 O15439 1/20 0.45
LMNA P02545 2/20 0.44
USP2 O75604 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 2/20 0.38
ATM Q13315 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
SLC2A1 P11166 1/20 0.33

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
SCHEMBL9543088 0.93
SCHEMBL5914608 0.84 LPAR3 (0.50) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL6969940 0.83
SCHEMBL29220179 0.82 TSHR (0.58) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL5914609 0.82 MAPT (0.50) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL10991327 0.82 LPAR3 (0.53) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL8663433 0.82 LPAR3 (0.53) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL6951113 0.82 LPAR3 (0.53) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL24168387 0.80 ALDH1A1 (0.61) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL10576501 0.80 MAPT (0.54) LPAR3LPAR2ALDH1A1TSHRCYP3A4

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