SCHEMBL19203931

SCHEMBL19203931

BCC1=C(c2ccc(Cl)cc2)CC(C)(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.44
PTGS1 P23219 4/20 0.44
BCL2L1 Q07817 1/20 0.41
BCL2 P10415 3/20 0.37
PKM P14618 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SLC6A3 Q01959 3/20 0.31
ALPL P05186 1/20 0.31
SLC6A2 P23975 1/20 0.31
RECQL P46063 1/20 0.30
ACHE P22303 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
SCHEMBL1959392 0.86 PTGS2 (0.45) PTGS2PTGS1BCL2L1BCL2PKM
SCHEMBL22560741 0.86 PTGS2 (0.45) PTGS2PTGS1BCL2L1BCL2PKM
SCHEMBL19183275 0.84 PTGS2 (0.44) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL21851539 0.84 PTGS2 (0.44) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL523660 0.84 PTGS2 (0.44) PTGS2PTGS1BCL2L1BCL2SIRT2
SCHEMBL23298661 0.84 PTGS2 (0.44) PTGS2PTGS1BCL2L1BCL2SIRT2
SCHEMBL1956374 0.82 BCL2L1 (0.42) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL1958916 0.81 PTGS2 (0.44) PTGS2PTGS1BCL2L1BCL2SLC6A3
SCHEMBL24917425 0.80 PTGS1 (0.39) PTGS2PTGS1BCL2L1BCL2
SCHEMBL20082221 0.80 PTGS2 (0.40) PTGS2PTGS1BCL2L1BCL2ACHE

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-2017132474-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2017-08-03 WO disclosed