SCHEMBL25148692

SCHEMBL25148692

COc1nc(C2CCCCC2O)ccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
NR3C2 P08235 5/20 0.39
PGR P06401 4/20 0.39
NR3C1 P04150 1/20 0.39
AR P10275 1/20 0.39
KLKB1 P03952 1/20 0.34
PRKAB2 O43741 4/20 0.34
PRKAG1 P54619 4/20 0.34
PRKAA2 P54646 4/20 0.34
PRKAA1 Q13131 4/20 0.34
PRKAG3 Q9UGI9 4/20 0.34
PRKAG2 Q9UGJ0 4/20 0.34
PRKAB1 Q9Y478 4/20 0.34
CD274 Q9NZQ7 4/20 0.33
PDCD1 Q15116 2/20 0.33
PDCD1LG2 Q9BQ51 2/20 0.32
TACR3 P29371 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32

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
SCHEMBL25148803 0.88 NR3C1 (0.40) POLBTDP1NR3C2PGRNR3C1
SCHEMBL25149367 0.88 PDCD1 (0.42) POLBTDP1KLKB1CD274PDCD1
SCHEMBL30364642 0.88 PDCD1 (0.42) POLBTDP1KLKB1CD274PDCD1
SCHEMBL30364609 0.76 LMNA (0.41) POLBCD274PDCD1LG2
SCHEMBL19539560 0.75 POLB (0.47) POLBTDP1NR3C2PGRNR3C1
SCHEMBL25149306 0.69 PARP15 (0.42) POLBTDP1NR3C2PGRNR3C1
SCHEMBL30364876 0.69 PDCD1 (0.44) POLBTDP1CD274PDCD1TACR3
SCHEMBL25148626 0.69 PARP15 (0.42) POLBTDP1NR3C2PGRNR3C1
SCHEMBL25148734 0.69 PDCD1 (0.44) POLBTDP1CD274PDCD1TACR3
SCHEMBL21078996 0.68 TDP1 (0.68) POLBTDP1CD274PDCD1

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-2023062575-A1 CYCLIC VINYL SULFONE COMPOUNDS AS WRN INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-20 WO disclosed