SCHEMBL10452003

SCHEMBL10452003

CCCCCCCCCc1ccc2cc3ccccc3cc2c1CCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
TYR P14679 2/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
ALOX5 P09917 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TLR8 Q9NR97 6/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL11379723 1.00 MAPT (0.45) MAPTTYRCYP3A4TSHRMEN1
SCHEMBL6892060 1.00 MAPT (0.45) MAPTTYRCYP3A4TSHRMEN1
SCHEMBL6659847 0.98 MAPT (0.44) MAPTTYRCYP3A4TSHRMEN1
SCHEMBL28162721 0.98 MAPT (0.44) MAPTTYRCYP3A4TSHRMEN1
SCHEMBL6655041 0.98 MAPT (0.44) MAPTTYRCYP3A4TSHRMEN1
SCHEMBL10699044 0.98 MAPT (0.44) MAPTTYRCYP3A4TSHRMEN1
SCHEMBL6656073 0.98 MAPT (0.44) MAPTTYRCYP3A4TSHRMEN1
SCHEMBL11375368 0.98 TLR8 (0.44) MAPTTYRCYP3A4TSHRMEN1
SCHEMBL1023150 0.97 TLR8 (0.43) MAPTTYRCYP3A4TSHRMEN1
Bromide SCHEMBL27710135 0.97 TLR8 (0.43) MAPTTYRCYP3A4TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4943656-A SULFONATION OF POLYALKYLAROMATIC COMPOUNDS, SEPARATION INTO LAYERED LIQUID PHASES KING INDUSTRIES, INC. (US) 1990-07-24 US disclosed
EP-0168778-B1 PROCESS FOR THE PRODUCTION OF POLYALKYLAROMATIC POLYSULFONIC ACIDS AND RECOVERY BY HEAVY PHASE SEPARATION KING INDUSTRIES, INC. (US) 1988-11-23 EP disclosed
EP-0168778-A2 Process for the production of polyalkylaromatic polysulfonic acids and recovery by heavy phase separation KING INDUSTRIES, INC. (US) 1986-01-22 EP disclosed