SCHEMBL8623899

SCHEMBL8623899

CCCCC(=NOC)C(=O)Oc1ccccc1COc1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
RECQL P46063 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
SLC1A5 Q15758 1/20 0.35

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
SCHEMBL8623949 0.91 PTGDR2 (0.41) TDP1MAPTPTGDR2ALDH1A1CYP1A2
SCHEMBL8618263 0.89 ANO1 (0.46) MAPTPTGDR2FFAR4ALDH1A1CYP1A2
SCHEMBL8622048 0.89 TDP1 (0.41) TDP1MAPTRXRARXRBRXRG
SCHEMBL8620586 0.88 FFAR1 (0.42) RECQLPOLBKDM4EMEN1KMT2A
SCHEMBL8617222 0.81 CDK4 (0.44) TDP1MAPTRXRARXRBRXRG
SCHEMBL8621962 0.79 PTGDR2 (0.44) TDP1MAPTPTGDR2ALDH1A1POLB
SCHEMBL8620524 0.79 HIF1A (0.48) ALDH1A1
SCHEMBL6058430 0.78 MAPT (0.47) TDP1MAPTRXRARXRBRXRG
SCHEMBL8623430 0.78 ANO1 (0.48) MAPTPTGDR2FFAR4CYP1A2
SCHEMBL28864441 0.77 RXRA (0.48) TDP1RXRARXRBRXRGRECQL

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