SCHEMBL6978894

SCHEMBL6978894

CCCc1ccc(OC(=O)OC)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CDK2 P24941 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
FDPS P14324 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33
RPS6KB2 Q9UBS0 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9575032 0.81 CUL4A (0.35) HSD17B10ALDH1A1KMT2AMEN1HPGD
SCHEMBL14288616 0.76 TUBB4A (0.33) HSD17B10MAPT
SCHEMBL9574960 0.73 DAO (0.41) HSD17B10ALDH1A1KMT2AMEN1HPGD
SCHEMBL5887893 0.72 HPGD (0.53) HSD17B10ALDH1A1HPGDKDM4EMAPT
SCHEMBL8189892 0.72 POLB (0.40) HSD17B10ALDH1A1KMT2AMEN1HPGD
SCHEMBL17630168 0.72 KDM4E (0.37) HSD17B10ALDH1A1KMT2AMEN1HPGD
SCHEMBL6995150 0.71 ALOX5 (0.34) ALDH1A1KMT2AMAPT
SCHEMBL6653372 0.71 POLB (0.44) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL7509630 0.71 ALDH1A1 (0.36) ALDH1A1KMT2AKDM4EMAPTCDK2
SCHEMBL28477031 0.71 POLB (0.38) ALDH1A1KMT2AMEN1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214316-B1 FIVE MEMBERED-RING COMPOUNDS AND UTILIZATION THEREOF IN LIQUID CRYSTAL MIXTURES CLARIANT INT LTD (CH) 2003-05-07 EP disclosed