SCHEMBL7971888

SCHEMBL7971888

O=C1OC(c2ccccc2)(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)C(O)=C1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NOTUM Q6P988 3/20 0.39
ACMSD Q8TDX5 2/20 0.38
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
S1PR1 P21453 3/20 0.36
S1PR5 Q9H228 1/20 0.36
GALR1 P47211 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ESR2 Q92731 1/20 0.34
EPHX2 P34913 1/20 0.34
HAO1 Q9UJM8 1/20 0.34

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
SCHEMBL6932601 0.82 CFTR (0.43) CYP3A4ACMSDHSP90AA1GAAMAPT
SCHEMBL7968985 0.80 NOTUM (0.39) DHODHCYP3A4NPC1RAB9ANOTUM
SCHEMBL6026158 0.78 CFTR (0.50) CYP3A4HSP90AA1GAAMAPTKMT2A
SCHEMBL6026268 0.77 CFTR (0.39) CYP3A4NPC1RAB9AHSP90AA1GAA
SCHEMBL7956413 0.77 CFTR (0.39) CYP3A4HSP90AA1GAAMAPTKMT2A
SCHEMBL7966642 0.77 CYP1A2 (0.41) CYP3A4NPC1RAB9AHSP90AA1GAA
SCHEMBL7968717 0.74 KIF11 (0.46) CYP3A4NOTUMHSP90AA1MAPTKMT2A
SCHEMBL6026415 0.74 KDM4E (0.47) CYP3A4NPC1RAB9AMAPTKMT2A
SCHEMBL6026464 0.74 EGFR (0.43) CYP3A4NPC1RAB9ANOTUMHSP90AA1
SCHEMBL7968407 0.73 POLB (0.46) NPC1RAB9ANOTUMMAPTKMT2A

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