SCHEMBL8948906

SCHEMBL8948906

CC(=O)c1ccccc1COc1ccccc1C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
MAOB P27338 1/20 0.51
SGMS2 Q8NHU3 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NR2F2 P24468 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
RECQL P46063 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
MAPT P10636 1/20 0.45

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 0.87 HTT (0.68) RXRARXRBRXRGTP53HTT
SCHEMBL7965281 0.86 TP53 (0.54) RXRARXRBRXRGTP53HTT
SCHEMBL28939415 0.85 RXRA (0.47) RXRARXRBRXRGTP53HTT
SCHEMBL17616657 0.85 MRGPRX4 (0.51) HTTLMNASMN1; SMN2MAPT
SCHEMBL9442052 0.84 L3MBTL1 (0.52) RXRARXRBRXRGTP53HTT
SCHEMBL17616599 0.84 TP53 (0.46) TP53HTTMAOBSGMS2ALDH1A1
SCHEMBL6447237 0.84 ALDH1A1 (0.68) TP53HTTSGMS2ALDH1A1LMNA
SCHEMBL15286842 0.83 RXRA (0.51) RXRARXRBRXRGTP53HTT
SCHEMBL9025918 0.83 MEN1 (0.48) RXRARXRBRXRGTP53HTT
SCHEMBL8948971 0.83 TP53 (0.51) RXRARXRBRXRGTP53HTT

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 4 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
EP-0525516-B1 Derivatives of beta substituted cinnomic acid BASF AG (DE) 1995-09-27 EP disclosed
EP-0525516-A2 Derivatives of beta substituted cinnomic acid BASF Aktiengesellschaft (DE) 1993-02-03 EP disclosed