SCHEMBL9217440

SCHEMBL9217440

CC(C)c1ccc2c(C(=O)O)oc(-c3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
DHODH Q02127 2/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
EIF4A3 P38919 1/20 0.39
PTGS2 P35354 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 1/20 0.37
IKBKE Q14164 2/20 0.37
TBK1 Q9UHD2 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GPR35 Q9HC97 2/20 0.37

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
SCHEMBL9212264 0.81 KDM4E (0.55) DHODHKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9217470 0.80 IP6K1 (0.42) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL9217584 0.78 NAAA (0.46) HPGDPTGS2LMNANPC1RAB9A
SCHEMBL9216798 0.78 KDM4E (0.47) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL9211748 0.78 ADORA3 (0.49) DHODHKDM4EALDH1A1HPGDTTR
SCHEMBL9217430 0.76 TBK1 (0.46) RXRARXRBRXRGKDM4EHSD17B10
SCHEMBL9212333 0.73 MAPT (0.46) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL9219756 0.71 TP53 (0.51) RXRARXRBKDM4EALDH1A1HPGD
SCHEMBL9217855 0.71 IP6K1 (0.48) RXRARXRBRXRGDHODHKDM4E
SCHEMBL9219862 0.70 MCL1 (0.49) KDM4EHSD17B10ALDH1A1HPGDCSNK2A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512570-B1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP disclosed
EP-0512570-A1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP disclosed