SCHEMBL30067249

SCHEMBL30067249

COC(=O)CC1(CCCC=O)CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.35
MMP1 P03956 1/20 0.35
HDAC9 Q9UKV0 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
OPRL1 P41146 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TACR1 P25103 1/20 0.34
TACR3 P29371 1/20 0.34
PIN1 Q13526 3/20 0.33

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
SCHEMBL30067231 0.93 KMT2A (0.38) CHRNA7MMP1MEN1MAPTKMT2A
SCHEMBL22709344 0.89 ALDH1A1 (0.37) CHRNA7MMP1HDAC9LMNAPOLB
SCHEMBL30067472 0.88 MEN1 (0.35) POLBOPRL1MEN1MAPTKMT2A
SCHEMBL22709350 0.86 NOTUM (0.40) MMP1HDAC9LMNAPOLBOPRL1
SCHEMBL24483072 0.84 SIGMAR1 (0.36) MMP1HDAC9LMNAPOLBMEN1
SCHEMBL22709347 0.84 HDAC9 (0.38) HDAC9OPRL1TACR1TACR3
SCHEMBL24483073 0.84 NOTUM (0.41) MMP1HDAC9LMNAPOLBMEN1
SCHEMBL22709564 0.83 SIGMAR1 (0.41) MMP1LMNAMEN1MAPTKMT2A
SCHEMBL24483079 0.83 MEN1 (0.32) MEN1MAPTKMT2ANPSR1
SCHEMBL30067420 0.83 MEN1 (0.32) MEN1MAPTKMT2ANPSR1

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-2022240971-A2 KRAS G12D INHIBITORS AND USES THEREOF 1200 PHARMA LLC (US) 2022-11-17 WO disclosed