SCHEMBL14625529

SCHEMBL14625529

CCCN(CC(C)O)c1c(C)cccc1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.39
ESR1 P03372 4/20 0.38
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
S1PR1 P21453 1/20 0.33
CRHR1 P34998 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PGR P06401 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32

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
SCHEMBL38655434 0.77 TSHR (0.35) TSHRRECQLNPSR1ALDH1A1MAPT
SCHEMBL11522207 0.75 TDP1 (0.46) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL10391264 0.74 ALDH1A1 (0.39) TSHRRECQLNPSR1ALDH1A1MAPT
SCHEMBL14432390 0.74 ELANE (0.43) ESR1CRHR1
SCHEMBL11141812 0.72 ESR1 (0.40) ESR1TSHRCRHR1L3MBTL1ALDH1A1
SCHEMBL26029202 0.71 ESR1 (0.41) ESR1TSHRS1PR1SCN1ASCN2A
SCHEMBL83497 0.71 TRPM8 (0.40) TSHRRECQL
SCHEMBL22390022 0.70 ELANE (0.45) ESR1CRHR1NPSR1ALDH1A1
SCHEMBL10391685 0.69 ALDH1A1 (0.39) TSHRRECQLNPSR1ALDH1A1MAPT
SCHEMBL10935007 0.68 ALDH1A1 (0.40) TSHRRECQLS1PR1L3MBTL1ALDH1A1

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-1742105-A2 Photothermographic material Fuji Photo Film Co., Ltd. (JP) 2007-01-10 EP disclosed