SCHEMBL11599995

SCHEMBL11599995

CCCCOc1ccc2c(c1)c(-c1ccc(OCCN3CCCCCC3)cc1)c(C(=O)c1ccccc1)[s+]2[O-]

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
PSMB1 P20618 5/20 0.50
PSMB5 P28074 4/20 0.50
KDM4E B2RXH2 3/20 0.50
PSMB2 P49721 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ESR1 P03372 9/20 0.49
ESR2 Q92731 3/20 0.49
HRH4 Q9H3N8 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL11600463 0.89 HRH3 (0.51) LTA4HPSMB1PSMB5PSMB2ESR1
SCHEMBL11601598 0.89 KDM4E (0.53) LTA4HPSMB1PSMB5KDM4EPSMB2
SCHEMBL11600056 0.89 LTA4H (0.56) LTA4HALDH1A1ESR1ESR2
SCHEMBL11600553 0.86 ESR1 (0.55) LTA4HPSMB1PSMB5KDM4EPSMB2
SCHEMBL11601880 0.83 ESR1 (0.59) LTA4HPSMB1PSMB5PSMB2ESR1
SCHEMBL11601667 0.83 ESR1 (0.51) LTA4HALDH1A1ESR1ESR2
SCHEMBL11602278 0.81 LTA4H (0.51) LTA4HPSMB1PSMB5KDM4EPSMB2
SCHEMBL11602492 0.80 ESR1 (0.59) LTA4HESR1ESR2
SCHEMBL11620085 0.79 LTA4H (0.55) LTA4HPSMB1PSMB5KDM4EPSMB2
SCHEMBL11600610 0.79 LTA4H (0.44) LTA4HPSMB1PSMB5PSMB2ESR1

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-4075227-A NONSTEROIDAL ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed