SCHEMBL8622043

SCHEMBL8622043

CNC(=O)C(=NOC)c1cccc(COc2ccccc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 14/20 0.49
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
STAT3 P40763 1/20 0.44
STAT1 P42224 1/20 0.44
MITF O75030 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL8622039 1.00 MRGPRX4 (0.49) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL8624710 0.89 MRGPRX4 (0.51) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL8624707 0.89 MRGPRX4 (0.51) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL7221378 0.87 RXRA (0.59) RXRARXRBRXRGRAB9ANPC1
SCHEMBL8619481 0.87 RXRA (0.59) RXRARXRBRXRGRAB9ANPC1
SCHEMBL8618929 0.87 MRGPRX4 (0.55) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL8618926 0.87 MRGPRX4 (0.55) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL5713102 0.81 ALDH1A1 (0.43) RXRARXRBRXRGMAPTALDH1A1
SCHEMBL8368495 0.78 HIF1A (0.50) RXRARXRBRXRGMAPTALDH1A1
SCHEMBL7221376 0.78 HIF1A (0.50) RXRARXRBRXRGMAPTALDH1A1

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