SCHEMBL8619481

SCHEMBL8619481

CNC(=O)C(=NOC)c1ccc(COc2ccccc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.59
RXRB P28702 2/20 0.59
RXRG P48443 2/20 0.59
MAPT P10636 4/20 0.51
RAB9A P51151 4/20 0.51
LMNA P02545 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.45
NPC1 O15118 3/20 0.44
CASP3 P42574 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
CYP1A2 P05177 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 3/20 0.41

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
SCHEMBL7221378 1.00 RXRA (0.59) RXRARXRBRXRGMAPTRAB9A
SCHEMBL7089209 0.88 RXRA (0.61) RXRARXRBRXRGMAPTRAB9A
SCHEMBL4427849 0.88 RXRA (0.61) RXRARXRBRXRGMAPTRAB9A
SCHEMBL8622185 0.88 RXRA (0.61) RXRARXRBRXRGMAPTRAB9A
SCHEMBL8622187 0.88 RXRA (0.61) RXRARXRBRXRGMAPTRAB9A
SCHEMBL8622039 0.87 MRGPRX4 (0.49) RXRARXRBRXRGMAPTRAB9A
SCHEMBL8622043 0.87 MRGPRX4 (0.49) RXRARXRBRXRGMAPTRAB9A
SCHEMBL8622117 0.86 RXRA (0.67) RXRARXRBRXRGMAPTRAB9A
SCHEMBL8622118 0.86 RXRA (0.67) RXRARXRBRXRGMAPTRAB9A
SCHEMBL2546341 0.86 ALDH1A1 (0.46) RXRARXRBRXRGMAPTRAB9A

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