SCHEMBL8948971

SCHEMBL8948971

C/C(=C/C(=O)O)c1ccccc1COc1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.46
ALDH1A1 P00352 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
SLC1A5 Q15758 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
FOLH1 Q04609 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
NOTUM Q6P988 1/20 0.42
MAOB P27338 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL5291219 0.83 HTT (0.68) TP53HTTRECQLRXRARXRB
SCHEMBL8948906 0.83 RXRA (0.51) TP53HTTRECQLRXRARXRB
SCHEMBL7965281 0.81 TP53 (0.54) TP53HTTRECQLRXRARXRB
SCHEMBL8949116 0.80 HIF1A (0.48) TP53HTTRECQLMRGPRX4FOLH1
SCHEMBL8949039 0.80 HTT (0.41) TP53HTTALDH1A1MRGPRX4FFAR1
SCHEMBL15286842 0.79 RXRA (0.51) TP53HTTRECQLRXRARXRB
SCHEMBL9262462 0.78 TP53 (0.48) TP53HTTRECQLRXRARXRB
SCHEMBL9021287 0.78 TP53 (0.48) TP53HTTRECQLRXRARXRB
SCHEMBL28939415 0.78 RXRA (0.47) TP53HTTRECQLRXRARXRB
SCHEMBL9442052 0.77 L3MBTL1 (0.52) TP53HTTRECQLRXRARXRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5573999-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
US-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed