SCHEMBL8622048

SCHEMBL8622048

CCC(=NOC)C(=O)Oc1ccccc1COc1ccccc1C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
RECQL P46063 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC1A5 Q15758 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
KMT2A Q03164 1/20 0.36
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8621962 0.90 PTGDR2 (0.44) TDP1MAPTPTGDR2POLBTSHR
SCHEMBL8623899 0.89 TDP1 (0.39) TDP1MAPTRXRARXRBRXRG
SCHEMBL8623430 0.88 ANO1 (0.48) MAPTPTGDR2FFAR4CYP1A2
SCHEMBL8619527 0.86 HIF1A (0.45) KMT2AL3MBTL1
SCHEMBL8617222 0.85 CDK4 (0.44) TDP1MAPTRXRARXRBRXRG
SCHEMBL28864441 0.80 RXRA (0.48) TDP1RXRARXRBRXRGRECQL
SCHEMBL8623949 0.80 PTGDR2 (0.41) TDP1MAPTPTGDR2POLBTSHR
SCHEMBL6058430 0.79 MAPT (0.47) TDP1MAPTRXRARXRBRXRG
SCHEMBL27460967 0.79 RXRA (0.49) TDP1RXRARXRBRXRGRECQL
SCHEMBL8618263 0.78 ANO1 (0.46) MAPTPTGDR2FFAR4KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed