SCHEMBL18936623

SCHEMBL18936623

Nc1c(F)ccc(OCC(=O)O)c1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
PTGER2 P43116 9/20 0.47
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.45
MAPT P10636 1/20 0.44
FFAR1 O14842 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44

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
SCHEMBL15243054 0.85 PTGER2 (0.35) PKMPTGER2PTGDR2FFAR1
SCHEMBL6744367 0.84 PKM (0.53) PKMTDP1PTGER2TSHRPOLB
SCHEMBL14774855 0.81 ALDH1A1 (0.47) TDP1POLBSMN1; SMN2L3MBTL1MAPT
SCHEMBL201279 0.80 PKM (0.46) PKMTDP1PTGER2TSHRPOLB
SCHEMBL14784683 0.80 MAPT (0.44) TDP1PTGER2TSHRPOLBL3MBTL1
SCHEMBL15964828 0.79 PTGER2 (0.42) PKMPTGER2POLBSMN1; SMN2GLA
SCHEMBL4405598 0.76 ALDH1A1 (0.45) TDP1TSHRPOLBSMN1; SMN2L3MBTL1
SCHEMBL7963576 0.75 TDP1 (0.54) PKMTDP1TSHRPOLBSMN1; SMN2
SCHEMBL22601790 0.74 TDP1 (0.57) PKMTDP1PTGER2TSHRGLA
SCHEMBL28662404 0.73 MEN1 (0.35) PKML3MBTL1MAPT

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-2755944-B1 BIARYLDERIVATIVES,THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2017-06-14 EP claimed