SCHEMBL20508995

SCHEMBL20508995

O=C(c1c(F)c(F)c(F)c(F)c1F)C(F)C(=O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HTT P42858 2/20 0.36
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.30
TAS1R1 Q7RTX1 2/20 0.30
TAS1R2 Q8TE23 2/20 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
SCHEMBL12857051 0.85 SMN1; SMN2 (0.35) CES2CES1HTTPKMSMN1; SMN2
SCHEMBL10137810 0.74 FFAR1 (0.44) CES2CES1HTTPKMSMN1; SMN2
SCHEMBL9593285 0.72 CES2 (0.36) CES2CES1HTTPKMSMN1; SMN2
SCHEMBL14189053 0.69 SMN1; SMN2 (0.39) CES2CES1HTTPKMSMN1; SMN2
SCHEMBL8175703 0.67 CES2 (0.68) CES2CES1HTTPKMSMN1; SMN2
SCHEMBL661258 0.67 CES2 (0.46) CES2CES1HTTPKMSMN1; SMN2
Lithium Ion SCHEMBL5014708 0.67 CA1 (0.52) CES2CES1HTTPKMSMN1; SMN2
Lithium Ion SCHEMBL28408172 0.67 CA1 (0.59) CES2CES1HTTPKMSMN1; SMN2
SCHEMBL10137812 0.66 SMN1; SMN2 (0.41) CES2CES1PKMSMN1; SMN2MAPK1
SCHEMBL217793 0.65 CES2 (0.43) CES2CES1HTTPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240000724-A1 Compositions and Methods for Treatment or Prevention of Oral Mucositis PATHWAYS BIOSCIENCE, LLC 2024-01-04 US claimed
US-20240000724-A1 Compositions and Methods for Treatment or Prevention of Oral Mucositis PATHWAYS BIOSCIENCE, LLC 2024-01-04 US disclosed
US-11786483-B2 Compositions and methods for treatment or prevention of oral mucositis PATHWAYS BIOSCIENCE, LLC (US) 2023-10-17 US disclosed
US-20200206156-A1 Compositions and Methods for Treatment or Prevention of Oral Mucositis PATHWAYS BIOSCIENCE, LLC 2020-07-02 US disclosed
US-20180271803-A1 COMPOSITIONS AND METHODS FOR TREATMENT OR PREVENTION OF ORAL MUCOSITIS PATHWAYS BIOSCIENCE, LLC 2018-09-27 US disclosed