SCHEMBL23256558

SCHEMBL23256558

CCc1cn(C(CC(C)C)C(=O)O)c(=O)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
AKR1C3 P42330 7/20 0.33
AKR1C2 P52895 7/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C1 Q04828 1/20 0.33
MCL1 Q07820 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
F11 P03951 3/20 0.32
KLKB1 P03952 2/20 0.32
BCL2 P10415 1/20 0.32
BCL2L2 Q92843 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
SCHEMBL23257132 0.88 POLQ (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23249219 0.87 POLQ (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23250388 0.86 LMNA (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21459657 0.85 POLQ (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23250348 0.85 S1PR1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23250511 0.83 POLQ (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23248918 0.82 OPRK1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29863760 0.82 POLQ (0.32)
SCHEMBL23256173 0.81 OPRK1 (0.35) SMN1; SMN2MCL1
SCHEMBL31629365 0.81 SMN1; SMN2 (0.30) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021076902-A1 INHIBITING HUMAN INTEGRIN α 4 β 7 MORPHIC THERAPEUTIC, INC. (US) 2021-04-22 WO disclosed
WO-2021076890-A1 INHIBITING HUMAN INTEGRIN α4β7 MORPHIC THERAPEUTIC, INC. (US) 2021-04-22 WO disclosed