SCHEMBL3746423

SCHEMBL3746423

O=C1CC(OCCCCCCCCO)=Cc2nc3cc(Cl)ccc3cc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 4/20 0.34
▸ CYSLTR2 Q9NS75 1/20 0.32
▸ CYSLTR1 Q9Y271 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ NUDT1 P36639 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ P2RY12 Q9H244 1/20 0.31
▸ CNR1 P21554 2/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ PDK2 Q15119 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL3741634 0.87 LTB4R (0.35) LTB4RPDE2ACNR1
SCHEMBL3738424 0.87 LTB4R (0.35) LTB4RPDE2ACNR1
SCHEMBL3745793 0.87 LTB4R (0.35) LTB4RPDE2ACNR1
SCHEMBL3735599 0.86 LTB4R (0.35) LTB4RPDE2ACNR1
SCHEMBL3732538 0.84 LTB4R (0.34) LTB4R
SCHEMBL3732169 0.79 RXFP1 (0.36) TP53ALDH1A1
SCHEMBL3736494 0.75 RXFP1 (0.36) L3MBTL1ALDH1A1
SCHEMBL3742726 0.74 MAOB (0.34) LTB4RLMNA
SCHEMBL3742855 0.72 MAOB (0.36) LTB4RTP53MAPK1PDE2A
SCHEMBL11689249 0.72 ACHE (0.36) MAPK1L3MBTL1BACE1LMNA

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-7829578-B1 Aromatic ketones and uses thereof OREGON HEALTH & SCIENCE UNIVERSITY (US) 2010-11-09 — — US disclosed
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