SCHEMBL8619451

SCHEMBL8619451

CON=C(C)C(=O)Oc1ccc(COc2ccccc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
ATM Q13315 2/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BRD4 O60885 1/20 0.39
KMT2A Q03164 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
SCHEMBL8622045 0.87 FFAR1 (0.47) RXRARXRBRXRGFFAR4FFAR1
SCHEMBL8617222 0.82 CDK4 (0.44) RXRARXRBRXRGL3MBTL1TDP1
SCHEMBL9777771 0.81 RXRA (0.49) RXRARXRBRXRGL3MBTL1TDP1
SCHEMBL7089209 0.77 RXRA (0.61) RXRARXRBRXRGL3MBTL1TDP1
SCHEMBL4427849 0.77 RXRA (0.61) RXRARXRBRXRGL3MBTL1TDP1
SCHEMBL29080888 0.75 ELANE (0.44) L3MBTL1TDP1ATMMAPTRAB9A
SCHEMBL14667478 0.75 ELANE (0.44) L3MBTL1TDP1ATMMAPTRAB9A
SCHEMBL28613979 0.75 ELANE (0.44) L3MBTL1TDP1ATMMAPTRAB9A
SCHEMBL8622117 0.75 RXRA (0.67) RXRARXRBRXRGL3MBTL1TDP1
SCHEMBL8622118 0.75 RXRA (0.67) RXRARXRBRXRGL3MBTL1TDP1

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