SCHEMBL7795605

SCHEMBL7795605

CCCCCCCCCCCCCCCCCCC1=NC(C)CO1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
KCNH2 Q12809 1/20 0.32
FUT7 Q11130 1/20 0.32
NOS1 P29475 3/20 0.32
NOS2 P35228 3/20 0.32
NOS3 P29474 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
GUSB P08236 1/20 0.31

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
SCHEMBL5226969 1.00 ALDH1A1 (0.35) ALDH1A1EBPSIGMAR1THRATHRB
SCHEMBL10491905 1.00 ALDH1A1 (0.35) ALDH1A1EBPSIGMAR1THRATHRB
SCHEMBL10491840 1.00 ALDH1A1 (0.35) ALDH1A1EBPSIGMAR1THRATHRB
SCHEMBL9787888 1.00 ALDH1A1 (0.35) ALDH1A1EBPSIGMAR1THRATHRB
SCHEMBL10617486 1.00 ALDH1A1 (0.35) ALDH1A1EBPSIGMAR1THRATHRB
SCHEMBL10619632 1.00 ALDH1A1 (0.35) ALDH1A1EBPSIGMAR1THRATHRB
SCHEMBL15201350 1.00 ALDH1A1 (0.35) ALDH1A1EBPSIGMAR1THRATHRB
SCHEMBL15201476 1.00 ALDH1A1 (0.35) ALDH1A1EBPSIGMAR1THRATHRB
SCHEMBL10616783 1.00 ALDH1A1 (0.35) ALDH1A1EBPSIGMAR1THRATHRB
SCHEMBL5228819 1.00 ALDH1A1 (0.35) ALDH1A1EBPSIGMAR1THRATHRB

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-0832948-B1 Oxazoline hot melt ink compositions XEROX CORP (US) 2001-12-05 EP disclosed
US-5817169-A MIXTURE OF COLORANT AND VEHICLE CONTAINING AMIDE AND AMINOESTER XEROX CORPORATION (US) 1998-10-06 US disclosed
EP-0832948-A1 Oxazoline hot melt ink compositions XEROX CORPORATION (US) 1998-04-01 EP disclosed
US-5698017-A INCLUDES AN AMIDE OR AMINO ESTER XEROX CORPORATION (US) 1997-12-16 US disclosed