SCHEMBL25001002

SCHEMBL25001002

CC(C)C1(C)CCC(C(N)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
HSD11B1 P28845 1/20 0.35
GAA P10253 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
EPHX1 P07099 2/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX5 P09917 1/20 0.31
MME P08473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RET P07949 1/20 0.31
MAPK14 Q16539 1/20 0.31
CAMK1D Q8IU85 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL16840141 0.79 SMN1; SMN2 (0.38) SMN1; SMN2HSD11B1GAATDP1LMNA
SCHEMBL16840139 0.79 SMN1; SMN2 (0.38) SMN1; SMN2HSD11B1GAATDP1LMNA
SCHEMBL2232346 0.78 SMN1; SMN2 (0.43) SMN1; SMN2GAATDP1LMNAKMT2A
SCHEMBL17586745 0.78 SMN1; SMN2 (0.37) SMN1; SMN2HSD11B1GAATDP1EPHX1
SCHEMBL8936212 0.77 KMT2A (0.35) SMN1; SMN2EPHX1SLC1A2SLC1A1KMT2A
SCHEMBL16841467 0.76 SMN1; SMN2 (0.42) SMN1; SMN2HSD11B1GAATDP1LMNA
SCHEMBL16841477 0.76 SMN1; SMN2 (0.42) SMN1; SMN2HSD11B1GAATDP1LMNA
SCHEMBL13232149 0.76 SMN1; SMN2 (0.42) SMN1; SMN2HSD11B1GAATDP1LMNA
SCHEMBL19315873 0.76 SMN1; SMN2 (0.42) SMN1; SMN2HSD11B1GAATDP1LMNA
SCHEMBL22874962 0.75 SMN1; SMN2 (0.33) SMN1; SMN2

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-2023014907-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed