SCHEMBL20041680

SCHEMBL20041680

CCC(O)COCC(C)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.61
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.39
USP2 O75604 1/20 0.34
HTT P42858 2/20 0.33
FYN P06241 1/20 0.32
MAOA P21397 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL325805 0.89 KDM4E (0.52) HSD17B10TSHRTDP1KDM4EUSP2
Water SCHEMBL27734809 0.86 KDM4E (0.50) HSD17B10TSHRTDP1KDM4EUSP2
SCHEMBL23560611 0.86 HSD17B10 (0.62) HSD17B10TSHRTDP1KDM4EMAPK1
SCHEMBL10469575 0.84 KDM4E (0.44) HSD17B10TSHRTDP1KDM4EUSP2
SCHEMBL13108264 0.84 KDM4E (0.44) HSD17B10TSHRTDP1KDM4EUSP2
SCHEMBL5524685 0.83
SCHEMBL10073780 0.83
SCHEMBL5528595 0.83
SCHEMBL35798 0.83
SCHEMBL28174066 0.80 HSD17B10 (0.60) HSD17B10TSHRTDP1KDM4EMAPK1

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-3142772-B1 ABSORBENT SOLUTION BASED ON BETA-HYDROXYLATED TERTIARY DIAMINES AND PROCESS FOR ELIMINATING ACID COMPOUNDS FROM A GASEOUS EFFLUENT IFP ENERGIES NOW (FR) 2018-04-11 EP disclosed