SCHEMBL21622852

SCHEMBL21622852

CC1(C)OB(c2ccc3c(ccc4cccnc43)c2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.47
LIPG Q9Y5X9 7/20 0.47
CCR1 P32246 4/20 0.41
CCR8 P51685 4/20 0.41
CCR5 P51681 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MMP2 P08253 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL18015251 0.83 LPL (0.41) LPLLIPGCCR1CCR8CCR5
SCHEMBL21841087 0.82 CCR1 (0.53) LPLLIPGCCR1CCR8CCR5
SCHEMBL22963781 0.81 LPL (0.40) LPLLIPGCCR1CCR8CCR5
SCHEMBL31577388 0.81 LPL (0.40) LPLLIPGCCR1CCR8CCR5
SCHEMBL20587479 0.80 CCR1 (0.40) LPLLIPGCCR1CCR8CCR5
SCHEMBL6126262 0.80 LPL (0.53) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL18943899 0.80 LPL (0.41) LPLLIPGCCR1CCR8CCR5
SCHEMBL29502750 0.80 ALDH1A1 (0.49) LPLLIPGKDM4EMAPTTP53
SCHEMBL418496 0.80 ALDH1A1 (0.49) LPLLIPGKDM4EMAPTTP53
SCHEMBL31513479 0.80 ALDH1A1 (0.49) LPLLIPGKDM4EMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820965-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-01-25 EP disclosed
WO-2020011658-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-01-16 WO disclosed