SCHEMBL22121357

SCHEMBL22121357

Cc1cc(C(=O)O)n(CCCC(=O)OC(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ GABRP O00591 2/20 0.40
▸ GABRD O14764 2/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ GABRB1 P18505 2/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ GABRA2 P47869 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ GABRA4 P48169 2/20 0.40
▸ GABRE P78334 2/20 0.40
▸ GABRA6 Q16445 2/20 0.40
▸ GABRG1 Q8N1C3 2/20 0.40
▸ GABRG3 Q99928 2/20 0.40
▸ GABRQ Q9UN88 2/20 0.40
▸ GRN P28799 5/20 0.40
▸ SORT1 Q99523 5/20 0.40
▸ LMNA P02545 2/20 0.37

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
SCHEMBL22121563 0.82 MAPT (0.44) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL22150335 0.80 GRN (0.37) KDM4EGRNSORT1LMNAHTT
SCHEMBL23115820 0.78 SMN1; SMN2 (0.40) KDM4ELMNAPOLB
SCHEMBL23115592 0.78 KDM4E (0.42) KDM4EHTTPOLBSTING1CNR1
SCHEMBL12307407 0.78 STING1 (0.44) GRNSORT1HTTSTING1
SCHEMBL3614239 0.77 KDM4E (0.51) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL23115836 0.77 KDM4E (0.51) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL22121370 0.76 KDM4E (0.44) KDM4EGRNSORT1LMNAHTT
SCHEMBL4754841 0.76 KDM4E (0.50) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL22119041 0.75 KDM4E (0.42) KDM4EGABRPGABRDGABRA1GABRB1

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-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
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