SCHEMBL9815019

SCHEMBL9815019

CCCCCCCCCCCCCCCCCCc1c(CCCCCCCCCCCCCCCCCC)c2ccc3cccc4cc(CCCCCCCCCCCCCCCCCC)c(c1CCCCCCCCCCCCCCCCCC)c2c34

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.39
KCNH2 Q12809 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
MAPT P10636 2/20 0.35
ERBB2 P04626 1/20 0.34
CYP1A2 P05177 1/20 0.34
FYN P06241 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
AHR P35869 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL9815065 0.87 MEN1 (0.42) TLR8KCNH2MEN1KMT2ACYP3A4
SCHEMBL1024836 0.86 CYP3A4 (0.43) TLR8KCNH2MEN1KMT2ACYP3A4
SCHEMBL11689404 0.86 CYP1A2 (0.38) MEN1KMT2ACYP3A4TSHRTDP1
SCHEMBL27949370 0.84 GHSR (0.33) TLR8MEN1KMT2ACYP3A4TSHR
SCHEMBL11692367 0.81 HPGD (0.44) TLR8MEN1KMT2ACYP3A4TSHR
Pyrene SCHEMBL4416467 0.80 MEN1 (0.45) TLR8KCNH2MEN1KMT2ACYP3A4
SCHEMBL3747524 0.80 MEN1 (0.45) TLR8KCNH2MEN1KMT2ACYP3A4
SCHEMBL10436263 0.80 KCNH2 (0.38) TLR8KCNH2MEN1KMT2ACYP3A4
SCHEMBL11131281 0.79 HSD17B10 (0.47) TLR8KCNH2MEN1KMT2ACYP3A4
SCHEMBL2177583 0.79 MEN1 (0.39) TLR8KCNH2MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0447949-A1 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-09-25 EP claimed
EP-0381026-A2 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1990-08-08 EP claimed
EP-0447949-A1 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-09-25 EP disclosed
EP-0381026-A2 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1990-08-08 EP disclosed