SCHEMBL11247567

SCHEMBL11247567

[CH2]COCCOCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HRH3 Q9Y5N1 5/20 0.51
LMNA P02545 1/20 0.46
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL294856 0.96 IDO1 (0.57) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL299485 0.90 L3MBTL1 (0.51) IDO1MEN1KMT2AHRH3SIGMAR1
SCHEMBL8496055 0.88 TDP1 (0.54) IDO1MEN1KMT2ASIGMAR1TDP1
SCHEMBL511327 0.88 TDP1 (0.54) IDO1MEN1KMT2ASIGMAR1TDP1
SCHEMBL9021195 0.88 TDP1 (0.54) IDO1MEN1KMT2ASIGMAR1TDP1
SCHEMBL8729752 0.88 TDP1 (0.54) IDO1MEN1KMT2ASIGMAR1TDP1
SCHEMBL299681 0.88 TDP1 (0.54) IDO1MEN1KMT2ASIGMAR1TDP1
SCHEMBL21496279 0.88 CA1 (0.42) IDO1MEN1KMT2AHRH3HTR2A
SCHEMBL196951 0.87 IDO1 (0.67) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL4922180 0.86 IDO1 (0.55) IDO1MEN1KMT2AHRH3LMNA

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-4332614-A HALOACETANILIDE ETHERS MONSANTO COMPANY (US) 1982-06-01 US disclosed