SCHEMBL24896307

SCHEMBL24896307

CNC1=C(c2ccc(Cl)cc2)CCC(C)(C)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.45
PTGS1 P23219 4/20 0.45
BCL2L1 Q07817 1/20 0.40
BCL2 P10415 3/20 0.38
SLC6A3 Q01959 6/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SLC6A2 P23975 2/20 0.34
ACHE P22303 1/20 0.33
SLC6A4 P31645 2/20 0.32
ALPL P05186 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL19014652 0.78 PTGS2 (0.45) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL24896301 0.77 PTGS2 (0.44) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL25215204 0.75 BCL2L1 (0.51) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL3420856 0.75 PTGS2 (0.53) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL3420849 0.75 PTGS2 (0.49) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL25067951 0.74 PTGS2 (0.42) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL22428759 0.74 PTGS2 (0.42) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL10058349 0.74 BCL2L1 (0.50) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL1497714 0.73 PTGS2 (0.44) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL1113744 0.73 BCL2L1 (0.52) PTGS2PTGS1BCL2L1BCL2SLC6A3

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-2023288100-A1 LIPOSOMAL FORMULATIONS OF BCL INHIBITORS CELATOR PHARMACEUTICALS, INC. (US) 2023-01-19 WO disclosed