SCHEMBL9217430

SCHEMBL9217430

CC(C)c1ccc2oc(C(=O)O)c(-c3ccccc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
ABCC4 O15439 1/20 0.46
TTR P02766 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRD1 P41143 1/20 0.46
RAB9A P51151 1/20 0.46
PDE4D Q08499 1/20 0.46
IKBKE Q14164 1/20 0.46
PDE3A Q14432 1/20 0.46
GPR35 Q9HC97 1/20 0.46
PFKFB3 Q16875 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
TNKS O95271 1/20 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
SCHEMBL8201626 0.81 L3MBTL1 (0.60) KDM4ENPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL9217459 0.81 PTPN1 (0.50) TBK1KDM4ERAB9AL3MBTL1HPGD
SCHEMBL9217575 0.79 NAAA (0.45) TBK1NPC1RAB9A
SCHEMBL8401426 0.78 MCL1 (0.61) KDM4ETTRTNKSALDH1A1HPGD
SCHEMBL3610930 0.77 PTPN1 (0.59) KDM4ENPC1GAAPKML3MBTL1
SCHEMBL9217440 0.76 RXRA (0.42) TBK1KDM4ENPC1ABCC4TTR
SCHEMBL9212323 0.74 L3MBTL1 (0.51) KDM4ENPC1GAAPKMRAB9A
SCHEMBL5557517 0.74 ALDH1A1 (0.63) TBK1KDM4ENPC1ABCC4TTR
SCHEMBL11746198 0.73 ALDH1A1 (0.55) KDM4ENPC1ALDH1A1HPGDHSD17B10
SCHEMBL9916152 0.73 TNKS (0.47) TBK1KDM4ENPC1GAARAB9A

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-0512570-B1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP disclosed
CN-1067886-A New urea derivatives, their preparation method and pharmaceutical composition thereof FUJISAWA PHARMACEUTICAL CO (JP) 1993-01-13 CN 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