SCHEMBL31587696

SCHEMBL31587696

COc1cccc(-n2ccc(CC(=O)O)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
LMNA P02545 3/20 0.46
RECQL P46063 1/20 0.44
TP53 P04637 1/20 0.44
AR P10275 1/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
SLC16A3 O15427 2/20 0.42
SLC16A1 P53985 2/20 0.42
MCTS1 Q9ULC4 1/20 0.42
MAPT P10636 1/20 0.42
PTGS1 P23219 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL31587686 0.88 NOTUM (0.46) NOTUMLMNATP53ARTSHR
SCHEMBL31587169 0.85 AR (0.47) ARHSD17B10PTGS1AKR1C3AKR1C2
SCHEMBL1321573 0.83 MEN1 (0.59) NOTUMARHSD17B10TSHRMAPT
SCHEMBL31586911 0.82 POLB (0.54) NOTUMLMNAMAPTMEN1KMT2A
SCHEMBL15603510 0.81 HDAC3 (0.55) LMNAHSD17B10TSHRMAPT
SCHEMBL31587913 0.81 KDM4E (0.46) NOTUMARMEN1KMT2A
SCHEMBL23023945 0.79 LMNA (0.51) NOTUMLMNATP53MEN1KMT2A
SCHEMBL31587512 0.78 RXRA (0.43) AR
SCHEMBL15352892 0.75 NOTUM (0.55) NOTUMLMNAMAPK1HSD17B10TSHR
SCHEMBL30264186 0.75 NOTUM (0.55) NOTUMLMNAMAPK1HSD17B10TSHR

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-2025104236-A1 PYRAZOLE COMPOUNDS AS CULLIN RING UBIQUITIN LIGASE COMPOUNDS PROXYGEN GMBH (AT) 2025-05-22 WO disclosed