SCHEMBL9685591

SCHEMBL9685591

CCCCCCCCCCCCCCCCC(CCCOC1CCCCO1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4C Q9H3R0 1/20 0.38
TLR2 O60603 7/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
PTAFR P25105 1/20 0.33
NR5A2 O00482 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL9359454 0.86 MEN1 (0.39) MEN1KMT2AKDM4CTLR2PLA2G10
SCHEMBL9359448 0.86 MEN1 (0.39) MEN1KMT2AKDM4CTLR2PLA2G10
SCHEMBL4824612 0.79 MEN1 (0.48) MEN1KMT2AKDM4CTLR2PLA2G10
SCHEMBL12446842 0.78 MEN1 (0.36) MEN1KMT2ATLR2
SCHEMBL9452690 0.78 MEN1 (0.36) MEN1KMT2ATLR2
SCHEMBL13996384 0.78 PLA2G2A (0.38) MEN1KMT2AKDM4CTLR2PLA2G10
SCHEMBL24209614 0.77 MEN1 (0.47) MEN1KMT2AKDM4CTLR2PLA2G10
SCHEMBL29302791 0.77 MEN1 (0.35) MEN1KMT2ATLR2
SCHEMBL19067484 0.77 KDM4C (0.35) MEN1KMT2AKDM4C
SCHEMBL21068591 0.77 MEN1 (0.52) MEN1KMT2AKDM4CNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145844-A Enzyme inhibitors, antiinflammatory agents, analgesics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-09-08 US disclosed
US-5030733-A Analgesics, antiinflammatory agents, phospholipase inhibitor HOECHST-ROUSSEL PHARMACETICALS INCORPORATED (US) 1991-07-09 US disclosed
EP-0300397-A2 Hydroxy-, Alkoxy- and Benzyloxy substituted phospholipids, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-01-25 EP disclosed