SCHEMBL21547321

SCHEMBL21547321

Cc1cc(C(=O)OF)on1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.60
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CHRNA4 P43681 2/20 0.42
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
USP2 O75604 1/20 0.40
ALOX12 P18054 1/20 0.39

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
SCHEMBL4034128 0.82 HCAR2 (0.62) HCAR2POLBNPC1RAB9AKMT2A
SCHEMBL1800827 0.79 HCAR2 (0.58) HCAR2POLBNPC1RAB9AKMT2A
Bicarbonate SCHEMBL6633930 0.77 HCAR2 (0.55) HCAR2POLBNPC1RAB9AKMT2A
Bicarbonate SCHEMBL6633929 0.77 HCAR2 (0.55) HCAR2POLBNPC1RAB9AKMT2A
SCHEMBL222184 0.75
Bicarbonate SCHEMBL6633927 0.75 HCAR2 (0.58) HCAR2POLBNPC1RAB9AKMT2A
SCHEMBL11489630 0.74
SCHEMBL353474 0.74
SCHEMBL1797269 0.74
SCHEMBL11489629 0.74

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-3350175-B1 NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS FOR LOCAL DRUG DELIVERY LEO PHARMA AS (DK) 2019-11-06 EP disclosed