SCHEMBL7552633

SCHEMBL7552633

CCCCCNC(=O)CCCOc1cc[c]cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CNR2 P34972 3/20 0.50
CNR1 P21554 2/20 0.50
RECQL P46063 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MAPT P10636 1/20 0.49
CASP2 P42575 1/20 0.49
FAAH O00519 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47

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
SCHEMBL7557779 0.95 CNR2 (0.57) SMN1; SMN2HPGDMEN1KMT2ACNR2
SCHEMBL4467676 0.84 HPGD (0.53) SMN1; SMN2HPGDMEN1KMT2ACNR2
SCHEMBL7001422 0.83 CYP1A2 (0.54) SMN1; SMN2HPGDMEN1KMT2ARECQL
SCHEMBL15904029 0.82 RECQL (0.72) SMN1; SMN2HPGDMEN1KMT2ARECQL
SCHEMBL7193578 0.80 CNR2 (0.65) CNR2CNR1ALDH1A1
SCHEMBL7749263 0.80 CNR2 (0.65) CNR2CNR1ALDH1A1
SCHEMBL7197986 0.80 CNR2 (0.65) CNR2CNR1ALDH1A1
SCHEMBL24285342 0.79 PLK1 (0.62) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL7748421 0.79 NR5A1 (0.60) SMN1; SMN2HPGDMEN1KMT2ACNR2
SCHEMBL15904113 0.78 RECQL (0.65) SMN1; SMN2HPGDMEN1KMT2ARECQL

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
EP-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 EP disclosed