SCHEMBL22748469

SCHEMBL22748469

CCCCCCOc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.43
LIPG Q9Y5X9 6/20 0.43
S1PR5 Q9H228 2/20 0.39
S1PR1 P21453 1/20 0.39
ESR1 P03372 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2A P08913 1/20 0.34
MAPT P10636 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL21655144 0.99 LPL (0.42) LPLLIPGS1PR5S1PR1ESR1
SCHEMBL30129568 0.83 LPL (0.34) LPLLIPGHTR2BKMT2A
SCHEMBL23692656 0.81 LPL (0.37) LPLLIPG
SCHEMBL4530065 0.81 LPL (0.45) LPLLIPGESR1MEN1NR1I2
SCHEMBL2956576 0.81 LPL (0.45) LPLLIPGESR1MEN1NR1I2
SCHEMBL2949499 0.81 LPL (0.45) LPLLIPGESR1MEN1NR1I2
SCHEMBL2867772 0.80 LPL (0.52) LPLLIPGESR1
SCHEMBL15509385 0.80 LPL (0.43) LPLLIPGTHRATHRB
SCHEMBL22748290 0.80 LPL (0.40) LPLLIPGS1PR5S1PR1ESR1
SCHEMBL7789302 0.80 S1PR5 (0.38) S1PR5S1PR1THRATHRBL3MBTL1

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
WO-2020245297-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2020-12-10 WO disclosed