SCHEMBL11041532

SCHEMBL11041532

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.55
NAAA Q02083 1/20 0.45
DGKA P23743 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
EPHX1 P07099 1/20 0.38
HTT P42858 1/20 0.37
ACHE P22303 6/20 0.36

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
SCHEMBL11040477 1.00 FAAH (0.55) FAAHNAAADGKAMGAMGAA
SCHEMBL11037465 1.00 FAAH (0.55) FAAHNAAADGKAMGAMGAA
SCHEMBL26871520 0.90 FAAH (0.48) FAAHNAAADGKAMGAMGAA
SCHEMBL20500884 0.90 FAAH (0.71) FAAHNAAADGKARAD52NPSR1
SCHEMBL11040479 0.89 FAAH (0.50) FAAHNAAADGKARAD52NPSR1
SCHEMBL11041535 0.89 FAAH (0.50) FAAHNAAADGKARAD52NPSR1
SCHEMBL11037468 0.89 FAAH (0.50) FAAHNAAADGKARAD52NPSR1
SCHEMBL28136427 0.87 FAAH (0.53) FAAHNAAADGKAMGAMGAA
SCHEMBL28875528 0.87 FAAH (0.53) FAAHNAAADGKAMGAMGAA
SCHEMBL27853441 0.87 FAAH (0.53) FAAHNAAADGKAMGAMGAA

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