SCHEMBL7971858

SCHEMBL7971858

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.38
PTGER3 P43115 1/20 0.36
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
PDK2 Q15119 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33

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
SCHEMBL6931613 0.86 AKR1C2 (0.42) MCL1PTGER3POLBMEN1KMT2A
SCHEMBL7591686 0.86 AKR1C2 (0.42) MCL1PTGER3POLBMEN1KMT2A
SCHEMBL7956300 0.79 LMNA (0.43) MCL1POLBLMNAMAPTALOX12
SCHEMBL6026481 0.79 MCL1 (0.41) MCL1PTGER3POLBLMNAMAPT
SCHEMBL6931685 0.77 PGR (0.43) PTGER3PGRARHCAR2
SCHEMBL7956291 0.76 PTGER3 (0.40) MCL1PTGER3LMNAMAPTMAOA
SCHEMBL7968980 0.75 PTGER3 (0.35) MCL1PTGER3MEN1KMT2AMAOA
SCHEMBL6026165 0.73 HSD17B1 (0.38) POLBLMNAMAPTMEN1KMT2A
SCHEMBL6932927 0.70 CHRNA1 (0.42) MCL1MAPTMEN1KMT2AHCAR2
SCHEMBL7983353 0.70 CHRNA1 (0.42) MCL1MAPTMEN1KMT2AHCAR2

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