SCHEMBL27618014

SCHEMBL27618014

C=C(O)C(=O)Oc1c(C)ccc(C(=O)Oc2ccccc2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
MAPT P10636 7/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 1/20 0.40
KDR P35968 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL27486704 0.82 KDM4E (0.42) HSD17B10HPGDMAPTKDM4ETDP1
SCHEMBL10884650 0.79 HSD17B10 (0.53) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL3686834 0.73 HPGD (0.50) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL5132602 0.73 ELANE (0.52) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL30631651 0.72 MAPT (0.59) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL10778989 0.72 MAPT (0.59) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL28363001 0.71 ELANE (0.50) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL4363059 0.70 HPGD (0.58) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL1254116 0.70 KMT2A (0.64) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL4527922 0.69 MAPT (0.54) HSD17B10HPGDALOX15MAPTKDM4E

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
CN-100529842-C Highly safe silicone-containing material for ocular lens and process for producing the same MENICON CO LTD (JP) 2009-08-19 CN disclosed
CN-1723411-A High-safety ophthalmic lens material containing silicone and method for producing same MENICON CO LTD (JP) 2006-01-18 CN disclosed