SCHEMBL5821846

SCHEMBL5821846

CC(C)=C(C)C1=C(O)C(=O)c2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.58
TDP2 O95551 2/20 0.58
SMN1; SMN2 Q16637 7/20 0.46
RAB9A P51151 6/20 0.46
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 5/20 0.46
POLB P06746 2/20 0.46
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 1/20 0.44
MAPT P10636 8/20 0.43
MAPK1 P28482 4/20 0.43
TP53 P04637 2/20 0.43
P2RX7 Q99572 3/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
CDC25B P30305 2/20 0.42
LMNA P02545 3/20 0.42
MAOA P21397 2/20 0.42
BCL2 P10415 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL9178962 0.82 APAF1 (0.60) APAF1TDP2SMN1; SMN2RAB9AALDH1A1
SCHEMBL25649144 0.80 APAF1 (0.58) APAF1TDP2SMN1; SMN2RAB9AALDH1A1
SCHEMBL11799339 0.80 APAF1 (0.58) APAF1TDP2SMN1; SMN2RAB9AALDH1A1
SCHEMBL30304915 0.75 APAF1 (0.62) APAF1TDP2SMN1; SMN2RAB9AALDH1A1
SCHEMBL29678361 0.75 APAF1 (1.00) APAF1TDP2SMN1; SMN2RAB9AALDH1A1
SCHEMBL461648 0.75 APAF1 (1.00) APAF1TDP2SMN1; SMN2RAB9AALDH1A1
SCHEMBL28758923 0.73 APAF1 (0.60) APAF1TDP2SMN1; SMN2RAB9AALDH1A1
SCHEMBL16453655 0.73 APAF1 (0.60) APAF1TDP2SMN1; SMN2RAB9AALDH1A1
SCHEMBL29834814 0.73 APAF1 (0.60) APAF1TDP2SMN1; SMN2RAB9AALDH1A1
SCHEMBL11801950 0.72 APAF1 (0.52) APAF1TDP2SMN1; SMN2RAB9AALDH1A1

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-2006107827-A1 SKIN BONDING PROCESS CREIGHTON UNIVERSITY (US) 2006-10-12 WO disclosed