SCHEMBL8618929

SCHEMBL8618929

CON=C(C(=O)O)c1cccc(COc2ccccc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 17/20 0.55
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
XBP1 P17861 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
KMT2A Q03164 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL8618926 1.00 MRGPRX4 (0.55) MRGPRX4RXRARXRBRXRGMEN1
SCHEMBL8624707 0.89 MRGPRX4 (0.51) MRGPRX4RXRARXRBRXRGMEN1
SCHEMBL8624710 0.89 MRGPRX4 (0.51) MRGPRX4RXRARXRBRXRGMEN1
SCHEMBL8622043 0.87 MRGPRX4 (0.49) MRGPRX4RXRARXRBRXRGMEN1
SCHEMBL8622039 0.87 MRGPRX4 (0.49) MRGPRX4RXRARXRBRXRGMEN1
SCHEMBL8622117 0.86 RXRA (0.67) RXRARXRBRXRGMEN1NPC1
SCHEMBL8622118 0.86 RXRA (0.67) RXRARXRBRXRGMEN1NPC1
SCHEMBL26162596 0.82 MRGPRX4 (0.76) MRGPRX4RXRARXRBRXRGMEN1
SCHEMBL8589838 0.79 MRGPRX4 (0.48) MRGPRX4RXRARXRBRXRGMEN1
SCHEMBL8589841 0.79 MRGPRX4 (0.48) MRGPRX4RXRARXRBRXRGMEN1

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