SCHEMBL7968980

SCHEMBL7968980

Cc1ccc(-c2ccc(C3(C4CCCCC4)OC(=O)C(O)=C3O)c(C)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 2/20 0.35
MCL1 Q07820 1/20 0.35
ADAMTS7 Q9UKP4 1/20 0.33
BRD4 O60885 3/20 0.32
CCR1 P32246 6/20 0.32
CCR2 P41597 6/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
S1PR1 P21453 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TSHR P16473 1/20 0.31
GAA P10253 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
SCHEMBL6934430 0.90 AKR1C2 (0.36) PTGER3MCL1ADAMTS7BRD4CCR1
SCHEMBL6026240 0.80 MCL1 (0.35) MCL1ADAMTS7BRD4CCNCCDK8
SCHEMBL7971858 0.75 MCL1 (0.38) PTGER3MCL1CCNCCDK8KMT2A
SCHEMBL7968985 0.71 NOTUM (0.39) S1PR1KMT2ANPC1RAB9AGAA
SCHEMBL7956300 0.71 LMNA (0.43) MCL1CCNCCDK8KMT2AMEN1
SCHEMBL6931613 0.66 AKR1C2 (0.42) PTGER3MCL1KMT2AMEN1
SCHEMBL7591686 0.66 AKR1C2 (0.42) PTGER3MCL1KMT2AMEN1
SCHEMBL6026778 0.63 BACE1 (0.36) NPC1RAB9A
SCHEMBL7586371 0.63 AKR1C2 (0.41) MCL1CCNCCDK8KMT2AMEN1
SCHEMBL6934449 0.63 AKR1C2 (0.41) MCL1CCNCCDK8KMT2AMEN1

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
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed