SCHEMBL11211029

SCHEMBL11211029

O=C(O)C(c1noc2ccc(Cl)cc12)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
HTR3A P46098 2/20 0.40
HIF1A Q16665 1/20 0.38
PTGES O14684 3/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
PTGDR Q13258 1/20 0.37
PTGS2 P35354 1/20 0.36
EPHX1 P07099 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL11207375 0.87 SLC6A3 (0.50) FAAHSLC6A3
SCHEMBL11207790 0.83 HTR1F (0.39) FAAHHTR3ASLC6A3KMT2A
SCHEMBL11210963 0.83 HIF1A (0.52) HIF1ANPC1RAB9AKMT2A
Oxalic Acid SCHEMBL11210539 0.83 HTR1F (0.38) FAAHHTR3ASLC6A3KMT2A
SCHEMBL9689288 0.76 FAAH (0.46) FAAHHIF1ANPC1RAB9AKMT2A
SCHEMBL11857028 0.72 CNR1 (0.49) RAB9ASLC6A3
SCHEMBL11855303 0.70 CNR1 (0.48) RAB9ASLC6A3
SCHEMBL3953705 0.69 NPC1 (0.48) NPC1RAB9AEPHX1SLC6A3KMT2A
SCHEMBL3953759 0.69 NPC1 (0.48) NPC1RAB9AEPHX1SLC6A3KMT2A
SCHEMBL1565904 0.69 MEN1 (0.47) SLC6A3KMT2A

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
EP-0094833-A2 Novel 1,2-benzisoxazole derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1983-11-23 EP disclosed