SCHEMBL1956374

SCHEMBL1956374

CC1(C)CCC(CCO)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.42
PTGS2 P35354 4/20 0.42
PTGS1 P23219 3/20 0.42
BCL2 P10415 4/20 0.38
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACHE P22303 1/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A2 P23975 1/20 0.32
PTGES O14684 1/20 0.32
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 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
SCHEMBL523660 0.88 PTGS2 (0.44) BCL2L1PTGS2PTGS1BCL2ACHE
SCHEMBL22560741 0.83 PTGS2 (0.45) BCL2L1PTGS2PTGS1BCL2ACHE
SCHEMBL1959392 0.83 PTGS2 (0.45) BCL2L1PTGS2PTGS1BCL2ACHE
SCHEMBL19203931 0.82 PTGS2 (0.44) BCL2L1PTGS2PTGS1BCL2ACHE
SCHEMBL21851539 0.82 PTGS2 (0.44) BCL2L1PTGS2PTGS1BCL2ACHE
SCHEMBL23298661 0.82 PTGS2 (0.44) BCL2L1PTGS2PTGS1BCL2SLC6A3
SCHEMBL19183275 0.82 PTGS2 (0.44) BCL2L1PTGS2PTGS1BCL2ACHE
SCHEMBL28437858 0.80 BCL2L1 (0.48) BCL2L1PTGS2PTGS1BCL2ALDH1A1
SCHEMBL1113744 0.79 BCL2L1 (0.52) BCL2L1PTGS2PTGS1BCL2ACHE
SCHEMBL1958916 0.78 PTGS2 (0.44) BCL2L1PTGS2PTGS1BCL2ACHE

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
EP-2507229-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed