SCHEMBL20117832

SCHEMBL20117832

O=S(=O)(O)c1ccc(O)c(COCCCC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PTGS1 P23219 2/20 0.36
PTGS2 P35354 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRB2 P07550 4/20 0.35
ADRB1 P08588 4/20 0.35
ADRB3 P13945 4/20 0.35
POLB P06746 1/20 0.35
APP P05067 1/20 0.34
EGFR P00533 1/20 0.33
MAOB P27338 2/20 0.33
S1PR3 Q99500 1/20 0.32
HIF1A Q16665 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31

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
SCHEMBL17879751 0.83 HSD17B10 (0.38) HSD17B10ALDH1A1LMNAHPGDKDM4E
SCHEMBL18810693 0.80 HSD17B10 (0.37) HSD17B10ALDH1A1LMNAPTGS1PTGS2
SCHEMBL18810692 0.77 HSD17B10 (0.40) HSD17B10ALDH1A1LMNAHPGDKDM4E
SCHEMBL17883522 0.75 ALDH1A1 (0.48) HSD17B10ALDH1A1HPGDKDM4EPOLB
SCHEMBL18810700 0.75 HSD17B10 (0.38) HSD17B10ALDH1A1LMNAHPGDKDM4E
SCHEMBL17883523 0.72 ALDH1A1 (0.47) HSD17B10ALDH1A1HPGDKDM4EPOLB
SCHEMBL17879764 0.70 HSD17B10 (0.38) HSD17B10ALDH1A1LMNAHPGDKDM4E
SCHEMBL4243158 0.68 HSD17B10 (0.55) HSD17B10ALDH1A1LMNAESR1ESR2
SCHEMBL9419143 0.68 ALOX15 (0.35) HSD17B10ALDH1A1LMNAESR1ESR2
SCHEMBL8574752 0.67 HSD17B10 (0.46) HSD17B10ALDH1A1LMNAHPGDKDM4E

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
US-20180118968-A1 TOPCOAT COMPOSITIONS CONTAINING FLUORINATED THERMAL ACID GENERATORS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2018-05-03 US disclosed