SCHEMBL9815065

SCHEMBL9815065

CCCCCCCCCCCCCCCCCCc1cc2ccc3cccc4ccc(c1CCCCCCCCCCCCCCCCCC)c2c34

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TLR8 Q9NR97 3/20 0.41
KCNH2 Q12809 2/20 0.40
ERBB2 P04626 1/20 0.40
CYP1A2 P05177 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40
TYR P14679 2/20 0.40
TP53 P04637 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL1024836 0.98 CYP3A4 (0.43) MEN1KMT2ACYP3A4TSHRTDP1
SCHEMBL11692367 0.94 HPGD (0.44) MEN1KMT2ACYP3A4TSHRTDP1
SCHEMBL2177583 0.90 MEN1 (0.39) MEN1KMT2ACYP3A4TSHRTDP1
SCHEMBL9815019 0.87 TLR8 (0.39) MEN1KMT2ACYP3A4TSHRTDP1
SCHEMBL3747524 0.86 MEN1 (0.45) MEN1KMT2ACYP3A4TSHRTDP1
Pyrene SCHEMBL4416467 0.86 MEN1 (0.45) MEN1KMT2ACYP3A4TSHRTDP1
SCHEMBL11690814 0.84 CYP1A2 (0.44) MEN1KMT2ACYP3A4TSHRTDP1
SCHEMBL8225761 0.84 MEN1 (0.46) MEN1KMT2ACYP3A4TSHRTDP1
SCHEMBL5746968 0.84 ALDH1A1 (0.41) CYP3A4TSHRTDP1ALDH1A1HPGD
SCHEMBL5749154 0.84 TLR8 (0.47) MEN1KMT2ACYP3A4ALDH1A1HPGD

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