SCHEMBL21703580

SCHEMBL21703580

CCCC(C)CC(CC)CN

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.31
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
METAP1 P53582 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
CACNA2D2 Q9NY47 1/20 0.30

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
SCHEMBL8320000 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP3A4CACNA2D1
SCHEMBL23772032 0.86 ALDH1A1 (0.64) ALDH1A1TDP1TSHRCYP3A4
SCHEMBL23710711 0.86 ALDH1A1 (0.64) ALDH1A1TDP1TSHRCYP3A4
SCHEMBL10765370 0.86 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4CACNA2D1CACNB3
SCHEMBL4273746 0.85 TSHR (0.46) ALDH1A1TDP1TSHRCYP3A4
SCHEMBL23746779 0.84 CACNA2D1 (0.42) ALDH1A1TDP1TSHRCACNA2D1CACNB3
SCHEMBL14540620 0.84 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCYP3A4
SCHEMBL5608034 0.82 ALDH1A1 (0.44) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL4270411 0.82 TSHR (0.43) ALDH1A1TDP1TSHRCYP3A4
SCHEMBL11705769 0.82 ALDH1A1 (0.44) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C

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-20200048549-A1 LIGHT EMITTING DEVICE AND PHOSPHOR MITSUBISHI CHEMICAL CORPORATION (JP) 2020-02-13 US disclosed