SCHEMBL28285485

SCHEMBL28285485

CCCCc1cc2ccccc2c(N)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.49
ESR2 Q92731 5/20 0.49
TLR8 Q9NR97 3/20 0.49
DHFR P00374 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA3 P0DMS8 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4538271 0.94 TLR8 (0.49) ESR1ESR2TLR8DHFRALDH1A1
SCHEMBL28312230 0.94 TLR8 (0.49) ESR1ESR2TLR8DHFRALDH1A1
SCHEMBL28211818 0.94 TLR8 (0.49) ESR1ESR2TLR8DHFRALDH1A1
SCHEMBL3168425 0.82 ESR1 (0.52) ESR1ESR2TLR8ALDH1A1KDM4E
SCHEMBL9221329 0.81 ESR1 (0.65) ESR1ESR2TLR8MAPTADORA3
SCHEMBL29860018 0.81 ESR1 (0.65) ESR1ESR2TLR8MAPTADORA3
SCHEMBL28222389 0.80 TLR8 (0.53) ESR1ESR2TLR8ALDH1A1HPGD
SCHEMBL29123281 0.80 TLR8 (0.47) ESR1ESR2TLR8ALDH1A1HPGD
SCHEMBL10701128 0.80 ESR1 (0.53) ESR1ESR2TLR8ALDH1A1HPGD
SCHEMBL27805074 0.78 ESR1 (0.50) ESR1ESR2TLR8DHFRADORA3

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
CN-110392730-A Mineral oil base oil and vacuum pump oil 出光兴产株式会社 2019-10-29 CN disclosed
CN-109477029-A vacuum pump oil 出光兴产株式会社 2019-03-15 CN disclosed