SCHEMBL3420849

SCHEMBL3420849

[CH2]C1=C(c2ccc(Cl)cc2)CC(C)(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.49
PTGS1 P23219 5/20 0.49
BCL2L1 Q07817 1/20 0.39
BCL2 P10415 2/20 0.35
SLC6A3 Q01959 3/20 0.34
ALPL P05186 1/20 0.33
SLC6A2 P23975 1/20 0.33
MGAT2 Q10469 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3420856 0.82 PTGS2 (0.53) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL19014652 0.79 PTGS2 (0.45) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL22560752 0.78 PTGS2 (0.45) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL1959392 0.78 PTGS2 (0.45) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL22560741 0.78 PTGS2 (0.45) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL24775450 0.78 PTGS2 (0.45) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL24896301 0.77 PTGS2 (0.44) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL21851539 0.77 PTGS2 (0.44) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL19183275 0.77 PTGS2 (0.44) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL23298661 0.77 PTGS2 (0.44) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO claimed
EP-2613769-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT Abbvie Inc. (US) 2013-07-17 EP disclosed
EP-2576546-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-04-10 EP disclosed
WO-2012121758-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC. (US) 2012-09-13 WO disclosed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed