SCHEMBL30444451

SCHEMBL30444451

CCOc1cc(N(CC)CC)ccc1C1(c2ccc(N(CC)CC)cc2OCC)OC(=O)c2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 4/20 0.34
HPGD P15428 3/20 0.34
HIF1A Q16665 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDE5A O76074 1/20 0.34
MAPT P10636 6/20 0.34
KMT2A Q03164 6/20 0.34
MEN1 O00255 4/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 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
SCHEMBL28284 1.00 CYP3A4 (0.42) CYP3A4ALDH1A1HSD17B10HPGDHIF1A
SCHEMBL29430021 1.00 CYP3A4 (0.42) CYP3A4ALDH1A1HSD17B10HPGDHIF1A
SCHEMBL9186497 0.96 ALDH1A1 (0.41) CYP3A4ALDH1A1HSD17B10HPGDHIF1A
SCHEMBL9183030 0.96 CYP3A4 (0.39) CYP3A4ALDH1A1HSD17B10HPGDHIF1A
SCHEMBL11967217 0.96 CYP3A4 (0.39) CYP3A4ALDH1A1HSD17B10HPGDHIF1A
SCHEMBL20383174 0.95 CYP3A4 (0.39) CYP3A4ALDH1A1HSD17B10HPGDHIF1A
SCHEMBL9255478 0.94 CYP3A4 (0.39) CYP3A4ALDH1A1HSD17B10HPGDHIF1A
SCHEMBL19869604 0.93 CYP3A4 (0.37) CYP3A4ALDH1A1HSD17B10HPGDHIF1A
SCHEMBL19288903 0.92 CYP3A4 (0.37) CYP3A4ALDH1A1HSD17B10HPGDHIF1A
SCHEMBL9184678 0.92 CYP3A4 (0.39) CYP3A4ALDH1A1HSD17B10HPGDHIF1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994718-A Single-sided sticky biomass thermochromic porous membrane and preparation method thereof 江南大学 2024-11-22 CN claimed
CN-117085603-B Method for monitoring failure of kinematic pair in real time 清华大学 2023-12-29 CN claimed
CN-117085603-A Method for monitoring failure of kinematic pair in real time 清华大学 2023-11-21 CN claimed
CN-117085603-B Method for monitoring failure of kinematic pair in real time 清华大学 2023-12-29 CN disclosed
CN-117085603-A Method for monitoring failure of kinematic pair in real time 清华大学 2023-11-21 CN disclosed
US-11655387-B2 Thermochromic pigment compositions SOCIéTé BIC (FR) 2023-05-23 US disclosed