SCHEMBL9544187

SCHEMBL9544187

C=CCCC(C)OC([O])=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
FAAH O00519 4/20 0.35
MGLL Q99685 2/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PLA2G2C Q5R387 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 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
SCHEMBL6864349 0.83 TSHR (0.45) TSHRFAAHMGLLALDH1A1LMNA
SCHEMBL9544194 0.83 TSHR (0.36) TSHRFAAHMGLLALDH1A1LMNA
SCHEMBL28398511 0.82 TSHR (0.48) TSHRFAAHMGLLALDH1A1LMNA
SCHEMBL9541746 0.78
SCHEMBL22492583 0.76 FAAH (0.34) TSHRFAAHMGLLALDH1A1LMNA
SCHEMBL26247647 0.76 ALDH1A1 (0.40) TSHRFAAHMGLLALDH1A1LMNA
SCHEMBL15540840 0.74 LMNA (0.59) TSHRFAAHMGLLALDH1A1LMNA
SCHEMBL6724838 0.74
SCHEMBL12083492 0.73 ALDH1A1 (0.38) TSHRFAAHMGLLALDH1A1LMNA
SCHEMBL22492586 0.73 ALDH1A1 (0.38) TSHRFAAHMGLLALDH1A1LMNA

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