SCHEMBL9936164

SCHEMBL9936164

CC(=O)COc1ccc2ccccc2c1Cc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.54
▸ CNR1 P21554 1/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TSHR P16473 3/20 0.47
▸ USP2 O75604 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GCGR P47871 1/20 0.46
▸ OPRK1 P41145 1/20 0.45
▸ ACACB O00763 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9942183 0.92 GCGR (0.55) LTA4HGCGROPRK1
SCHEMBL9942716 0.91 LTA4H (0.55) LTA4HGCGROPRK1
SCHEMBL9940284 0.91 OPRK1 (0.55) LTA4HKDM4EGCGROPRK1
SCHEMBL9942788 0.91 OPRK1 (0.55) LTA4HKDM4EGCGROPRK1
SCHEMBL9966815 0.88 ESR2 (0.54) LTA4HKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL9940164 0.88 KDM4E (0.52) LTA4HKDM4EALDH1A1GCGROPRK1
SCHEMBL9967009 0.87 LTA4H (0.58) LTA4HCNR1CNR2KDM4ETSHR
SCHEMBL9940254 0.86 LTA4H (0.57) LTA4HCNR1CNR2TSHRNPSR1
SCHEMBL9966990 0.85 LTA4H (0.54) LTA4HCNR1CNR2ALDH1A1TSHR
SCHEMBL9936264 0.85 LTA4H (0.54) LTA4HCNR1CNR2TSHRNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012079154-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS DALHOUSIE UNIVERSITY (CA) 2012-06-21 — — WO disclosed
WO-2012079154-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS DALHOUSIE UNIVERSITY (CA) 2012-06-21 — — WO disclosed
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