SCHEMBL21626580

SCHEMBL21626580

COc1c[nH]c(=O)cc1-c1cc(Cl)ccc1C(C)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 1/20 0.38
HTT P42858 1/20 0.38
LPAR1 Q92633 4/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.35
LRRK2 Q5S007 1/20 0.35
MPO P05164 1/20 0.35
TPO P07202 1/20 0.35
SCN8A Q9UQD0 2/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
PYGL P06737 1/20 0.34
LMNA P02545 1/20 0.34
ERN1 O75460 1/20 0.34
SLC9A1 P19634 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
SCHEMBL21626576 0.86 ALDH1A1 (0.39) NR3C1PGRNR3C2ARHTT
SCHEMBL17629754 0.86 NR3C1 (0.38) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL17629385 0.80 SCN8A (0.42) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL18327656 0.80 NR3C1 (0.44) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL19945739 0.79 ALDH1A1 (0.47) ALDH1A1SCN8ASCN10A
SCHEMBL23386428 0.79 NR3C1 (0.43) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL16138211 0.78 F11 (0.45) NR3C1PGRNR3C2ARHTT
SCHEMBL19945621 0.78 F11 (0.46) HTTALDH1A1LMNA
SCHEMBL18061833 0.77 NR3C1 (0.38) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL23843036 0.76 ERN1 (0.46) NR3C1PGRNR3C2ARALDH1A1

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-2020015698-A1 METHOD FOR PREPARING COAGULATION FACTOR XIA INHIBITOR AND INTERMEDIATE THEREOF 江苏恒瑞医药股份有限公司 2020-01-23 WO disclosed