SCHEMBL8703449

SCHEMBL8703449

CCC(C(=O)O)C1(c2ccccc2)C(=O)N(COC)Cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
HTR1A P08908 1/20 0.34
ADRA1A P35348 1/20 0.34
KMT2A Q03164 2/20 0.33
MITF O75030 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.32
KIF11 P52732 2/20 0.32

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
SCHEMBL8705630 0.73 LMNA (0.42) LMNAKMT2AHTT
SCHEMBL8711235 0.72 KMT2A (0.37) LMNAHTR1AADRA1AKMT2AMEN1
SCHEMBL8710396 0.70 LMNA (0.42) LMNAKMT2AMEN1HTT
SCHEMBL8707955 0.66 CCR1 (0.44) LMNAKMT2AMEN1
SCHEMBL8705961 0.64 KMT2A (0.44) LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL8705245 0.63 HTR7 (0.51) HTR1AADRA1A
SCHEMBL8704259 0.63 KDM5A (0.42) KMT2AMEN1KIF11
SCHEMBL6070188 0.63 ALDH1A1 (0.61) HTR1AADRA1AKMT2AMEN1KIF11
SCHEMBL8709426 0.62 KMT2A (0.43) LMNAKMT2AHTT
SCHEMBL8710606 0.61 LMNA (0.35) LMNAKMT2AMEN1

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
WO-1998002432-A1 BICYCLIC COMPOUNDS FOR CONTROLLING MICTURITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-22 WO disclosed