SCHEMBL11041535

SCHEMBL11041535

O=C(O)CC(=O)OCCCCCCBr

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.50
NAAA Q02083 1/20 0.41
HTT P42858 2/20 0.38
DGKA P23743 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
EPHX1 P07099 1/20 0.34
ACHE P22303 2/20 0.33
PAM P19021 1/20 0.33

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
SCHEMBL11037468 1.00 FAAH (0.50) FAAHNAAAHTTDGKATDP1
SCHEMBL11040479 1.00 FAAH (0.50) FAAHNAAAHTTDGKATDP1
SCHEMBL29267685 0.98 FAAH (0.47) FAAHNAAAHTTDGKATDP1
Butane SCHEMBL6079989 0.93 FAAH (0.57) FAAHNAAAHTTDGKARAD52
Butane SCHEMBL10792124 0.93 FAAH (0.57) FAAHNAAAHTTDGKARAD52
SCHEMBL29267684 0.91 FAAH (0.44) FAAHNAAADGKATSHRALDH1A1
Butane SCHEMBL23607922 0.90 FAAH (0.54) FAAHNAAAHTTDGKARAD52
SCHEMBL11041532 0.89 FAAH (0.55) FAAHNAAAHTTDGKARAD52
SCHEMBL11040477 0.89 FAAH (0.55) FAAHNAAAHTTDGKARAD52
SCHEMBL11037465 0.89 FAAH (0.55) FAAHNAAAHTTDGKARAD52

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-4476106-A Process for the extemporaneous preparation of an injectable fatty acid tagged in the omega position by means of radioactive iodine COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1984-10-09 US disclosed