SCHEMBL7777295

SCHEMBL7777295

Oc1c[c]c(Oc2ccc(OCCN3CCCC3)cc2)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.53
PTGS2 P35354 5/20 0.52
PTGS1 P23219 2/20 0.52
ESR1 P03372 3/20 0.49
ESR2 Q92731 3/20 0.49
PSMB1 P20618 3/20 0.48
PSMB5 P28074 3/20 0.48
PSMB2 P49721 3/20 0.48
MAOB P27338 1/20 0.47

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
SCHEMBL3130426 0.99 LTA4H (0.52) LTA4HPTGS2PTGS1ESR1ESR2
SCHEMBL7108553 0.85 KDM4E (0.49) LTA4HPTGS2PTGS1ESR1ESR2
SCHEMBL7650467 0.84 KDM4E (0.57) LTA4HPTGS2PTGS1ESR1ESR2
SCHEMBL7927623 0.81 LTA4H (0.58) LTA4HPTGS2PTGS1PSMB1PSMB5
SCHEMBL7918324 0.80 LTA4H (0.57) LTA4HPTGS2PTGS1PSMB1PSMB5
SCHEMBL2475993 0.76 ESR1 (0.75) LTA4HPTGS2PTGS1ESR1ESR2
SCHEMBL7778580 0.75 LTA4H (0.53) LTA4HPTGS2PTGS1ESR1PSMB1
SCHEMBL699174 0.75 ESR1 (0.76) LTA4HESR1ESR2PSMB1PSMB5
SCHEMBL1359959 0.75 ESR1 (0.76) LTA4HESR1ESR2PSMB1PSMB5
SCHEMBL7443798 0.74 PSMB1 (0.50) LTA4HESR1ESR2PSMB1PSMB5

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
EP-1121125-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2001-08-08 EP claimed
WO-2000021535-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2000-04-20 WO claimed