SCHEMBL7968466

SCHEMBL7968466

CC1(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)OC(=O)C(O)=C1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.39
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.38
S1PR1 P21453 4/20 0.37
S1PR5 Q9H228 1/20 0.37
DGAT1 O75907 1/20 0.37
DHODH Q02127 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
GALR1 P47211 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ESR2 Q92731 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL6028406 0.86 FPR2 (0.35) NOTUMS1PR1DHODHHDAC4HDAC2
SCHEMBL7968628 0.83
SCHEMBL7972402 0.83 MMP12 (0.32)
SCHEMBL7968985 0.81 NOTUM (0.39) NOTUMHSP90AA1GAAMAPTKMT2A
SCHEMBL7971888 0.81 DHODH (0.40) NOTUMHSP90AA1GAAMAPTKMT2A
SCHEMBL6932927 0.79 CHRNA1 (0.42) MAPTKMT2AACMSDNPC1RAB9A
SCHEMBL7983353 0.79 CHRNA1 (0.42) MAPTKMT2AACMSDNPC1RAB9A
SCHEMBL7984718 0.79 CHRNA1 (0.42) MAPTKMT2AACMSDNPC1RAB9A
SCHEMBL6026628 0.78 MEN1 (0.37) NOTUMKMT2ANPC1RAB9A
SCHEMBL7969034 0.76 ALDH1A1 (0.38) NOTUM

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