SCHEMBL24917425

SCHEMBL24917425

CCCN(CCC)CC1=C(c2ccc(Cl)cc2)CC(C)(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
BCL2L1 Q07817 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
BCL2 P10415 3/20 0.34
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
CRHR1 P34998 1/20 0.32
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL20082221 0.89 PTGS2 (0.40) PTGS1PTGS2BCL2L1HRH3BCL2
SCHEMBL19867722 0.83 PTGS1 (0.34) PTGS1PTGS2BCL2L1BCL2LMNA
SCHEMBL22560741 0.82 PTGS2 (0.45) PTGS1PTGS2BCL2L1BCL2LMNA
SCHEMBL19183275 0.80 PTGS2 (0.44) PTGS1PTGS2BCL2L1BCL2
SCHEMBL19203931 0.80 PTGS2 (0.44) PTGS1PTGS2BCL2L1BCL2
SCHEMBL1959392 0.79 PTGS2 (0.45) PTGS1PTGS2BCL2L1BCL2
SCHEMBL19145307 0.78 BCL2L1 (0.46) PTGS1PTGS2BCL2L1HRH3BCL2
SCHEMBL21851539 0.77 PTGS2 (0.44) PTGS1PTGS2BCL2L1BCL2
SCHEMBL23298661 0.77 PTGS2 (0.44) PTGS1PTGS2BCL2L1BCL2MAPT
SCHEMBL523660 0.77 PTGS2 (0.44) PTGS1PTGS2BCL2L1BCL2LMNA

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
EP-4119560-A1 APOPTOSIS-INDUCING AGENTS Shanghai Fochon Pharmaceutical Co., Ltd. (CN) 2023-01-18 EP disclosed