SCHEMBL23791663

SCHEMBL23791663

CCCCC(CC)CNc1ccc(CC)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
TSHR P16473 4/20 0.42
CYP3A4 P08684 4/20 0.42
KDM4E B2RXH2 1/20 0.39
IGFBP3 P17936 1/20 0.37
PFKFB3 Q16875 1/20 0.36
VDR P11473 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPY5R Q15761 1/20 0.35
CA2 P00918 1/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SKP2 Q13309 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL16378563 0.85 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4KDM4EIGFBP3
SCHEMBL28009674 0.79 ALDH1A1 (0.49) ALDH1A1TSHRCYP3A4KDM4EPFKFB3
SCHEMBL31294508 0.78 ALDH1A1 (0.57) ALDH1A1TSHRCYP3A4KDM4EIGFBP3
SCHEMBL23791637 0.77 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4KDM4EIGFBP3
SCHEMBL21310189 0.77 HTT (0.48) ALDH1A1TSHRCYP3A4KDM4EIGFBP3
SCHEMBL11269996 0.75 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4KDM4EIGFBP3
SCHEMBL29966697 0.73 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4KDM4EIGFBP3
SCHEMBL13503274 0.72 CYP3A4 (0.46) ALDH1A1TSHRCYP3A4KDM4EVDR
SCHEMBL14831170 0.72 SKP2 (0.50) CYP3A4VDRHTTMAPK1SKP2
SCHEMBL1812493 0.71 ALDH1A1 (0.57) ALDH1A1TSHRCYP3A4KDM4EPFKFB3

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-20210277248-A1 GREEN COLORED RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-09-09 US disclosed