SCHEMBL21157247

SCHEMBL21157247

N=C(CCc1cccc(Br)c1)OC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
ESR1 P03372 1/20 0.49
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
NR3C2 P08235 1/20 0.49
AR P10275 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
TAAR1 Q96RJ0 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
GLS O94925 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL22201233 0.91 TAAR1 (0.46) FFAR1FFAR4ESR1NR3C1PGR
SCHEMBL21157262 0.79 TAAR1 (0.54) TAAR1ALDH1A1RAB9A
SCHEMBL6586 0.79 FFAR1 (0.68) FFAR1FFAR4ESR1NR3C1PGR
SCHEMBL7332798 0.77 TAAR1 (0.57) FFAR1FFAR4ESR1NR3C1PGR
SCHEMBL4234560 0.74 ALDH1A1 (0.60) FFAR1FFAR4ESR1NR3C1PGR
SCHEMBL5666545 0.74 TAAR1 (0.53) FFAR1FFAR4ESR1NR3C1PGR
SCHEMBL3962652 0.74 TAAR1 (0.53) FFAR1FFAR4ESR1NR3C1PGR
SCHEMBL2754670 0.74 TAAR1 (0.58) FFAR1FFAR4ESR1NR3C1PGR
SCHEMBL6378 0.73 TAAR1 (0.53) FFAR1FFAR4ESR1NR3C1PGR
SCHEMBL4237046 0.73 NPC1 (0.54) FFAR1FFAR4ESR1NR3C1PGR

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-2019135604-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY 기초과학연구원 2019-07-11 WO disclosed