SCHEMBL8622758

SCHEMBL8622758

CCO/N=C(\C(=O)Cl)c1ccccc1COc1ccccc1C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SGMS2 Q8NHU3 1/20 0.39
HIF1A Q16665 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL8622760 1.00 TP53 (0.46) TP53HTTPTGDR2RXRARXRB
SCHEMBL674085 0.89 HTT (0.47) TP53HTTPTGDR2RXRARXRB
SCHEMBL26650771 0.89 HTT (0.47) TP53HTTPTGDR2RXRARXRB
SCHEMBL349565 0.89 HTT (0.47) TP53HTTPTGDR2RXRARXRB
SCHEMBL8622780 0.89 MRGPRX4 (0.50) PTGDR2MRGPRX4HIF1AFFAR1FFAR4
SCHEMBL8622364 0.89 PTGDR2 (0.44) TP53HTTPTGDR2MRGPRX4HIF1A
SCHEMBL8622779 0.89 MRGPRX4 (0.50) PTGDR2MRGPRX4HIF1AFFAR1FFAR4
SCHEMBL8622366 0.89 PTGDR2 (0.44) TP53HTTPTGDR2MRGPRX4HIF1A
SCHEMBL8399010 0.88 ALDH1A1 (0.42) TP53HTTPTGDR2RXRARXRB
SCHEMBL8399016 0.88 ALDH1A1 (0.42) TP53HTTPTGDR2RXRARXRB

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