SCHEMBL9541472

SCHEMBL9541472

C=CCC(C)COC([O])=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9541479 0.83 TSHR (0.41) TSHRTDP1USP2LMNACYP3A4
SCHEMBL7686788 0.83 TSHR (0.41) TSHRTDP1USP2LMNACYP3A4
SCHEMBL8221276 0.82 TSHR (0.39) TSHRTDP1LMNAMAPTSMN1; SMN2
SCHEMBL8212975 0.82 TSHR (0.39) TSHRTDP1LMNAMAPTSMN1; SMN2
SCHEMBL28773870 0.82 TSHR (0.39) TSHRTDP1LMNAMAPTSMN1; SMN2
SCHEMBL28725161 0.76 TSHR (0.35) TSHRMAPT
SCHEMBL28725124 0.76 GAA (0.52) TSHRTDP1LMNAMAPTSMN1; SMN2
SCHEMBL9543095 0.74
SCHEMBL6053878 0.73 TSHR (0.33) TSHR
SCHEMBL4444510 0.73

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