SCHEMBL8958295

SCHEMBL8958295

Cc1cc(Cc2ccccc2OCC(=O)OC(C)(C)C)c(OCC(=O)OC(C)(C)C)c(Cc2ccccc2OCC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
MAPT P10636 2/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
PTPN1 P18031 1/20 0.36
ITGB1 P05556 1/20 0.36

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
SCHEMBL8955291 0.89 KDM4E (0.42) HPGDPOLBKDM4EALDH1A1HSD17B10
SCHEMBL13140904 0.78 L3MBTL1 (0.45) HPGDPOLBKDM4EALDH1A1HSD17B10
SCHEMBL22656552 0.78 POLB (0.50) HPGDPOLBKDM4EALDH1A1HSD17B10
SCHEMBL20398155 0.76 DDB1 (0.49) HPGDPOLBKDM4EALDH1A1HSD17B10
SCHEMBL25477199 0.76 SMN1; SMN2 (0.38) HPGDPOLBKDM4EALDH1A1HSD17B10
SCHEMBL22396855 0.76 L3MBTL1 (0.43) HPGDPOLBKDM4EALDH1A1HSD17B10
SCHEMBL7862085 0.75 NOTUM (0.53) ALDH1A1MAPTDDB1CRBNCYP2C9
SCHEMBL25477165 0.75 PTPN1 (0.39) HPGDPOLBKDM4EALDH1A1HSD17B10
SCHEMBL14193732 0.75 USP2 (0.52) HPGDKDM4EALDH1A1MAPTNPSR1
SCHEMBL13141077 0.75 IDO1 (0.49) HPGDPOLBKDM4EALDH1A1HSD17B10

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
JP-8194313-A None JP disclosed
JP-H08194313-A POSITIVE TYPE RESIST MATERIAL SHIN ETSU CHEM CO LTD 1996-07-30 JP disclosed