SCHEMBL9011799

SCHEMBL9011799

CCCCCCOCCCCCOCCCC

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.67
HTT P42858 2/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
MAPT P10636 1/20 0.67
TSHR P16473 3/20 0.60
CES2 O00748 2/20 0.54
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP3A4 P08684 1/20 0.50
USP2 O75604 1/20 0.50
CES1 P23141 1/20 0.48
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
NR5A1 Q13285 1/20 0.44
LPAR1 Q92633 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44

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
SCHEMBL10732741 1.00 THRB (0.67) THRBHTTMEN1KMT2AMAPT
SCHEMBL199075 1.00 THRB (0.67) THRBHTTMEN1KMT2AMAPT
SCHEMBL200366 1.00 THRB (0.67) THRBHTTMEN1KMT2AMAPT
SCHEMBL199279 1.00 THRB (0.67) THRBHTTMEN1KMT2AMAPT
SCHEMBL199223 1.00 THRB (0.67) THRBHTTMEN1KMT2AMAPT
SCHEMBL9011695 1.00 THRB (0.67) THRBHTTMEN1KMT2AMAPT
SCHEMBL198754 1.00 THRB (0.67) THRBHTTMEN1KMT2AMAPT
SCHEMBL127318 1.00 THRB (0.67) THRBHTTMEN1KMT2AMAPT
SCHEMBL21044662 1.00 THRB (0.67) THRBHTTMEN1KMT2AMAPT
SCHEMBL200527 1.00 THRB (0.67) THRBHTTMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5529874-A ETHER CARRIER LIQUID AND TONER PARTICLES DISPERSED THEREIN; SUITABLE FOR HIGH SPEED COPYING FUJI XEROX CO., LTD. (JP) 1996-06-25 US disclosed