SCHEMBL7559525

SCHEMBL7559525

O=C(CCCC(F)(F)C(F)(F)F)NCCCCCCCCOc1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
HDAC1 Q13547 3/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC2 Q92769 2/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL7552728 1.00 HPGD (0.46) HPGDMEN1KMT2ASMN1; SMN2TAAR1
SCHEMBL7553674 0.95 MEN1 (0.46) HPGDMEN1KMT2ASMN1; SMN2TAAR1
SCHEMBL7552498 0.95 MEN1 (0.46) HPGDMEN1KMT2ASMN1; SMN2TAAR1
SCHEMBL7557779 0.80 CNR2 (0.57) HPGDMEN1KMT2ASMN1; SMN2CNR1
SCHEMBL7552633 0.77 SMN1; SMN2 (0.56) HPGDMEN1KMT2ASMN1; SMN2TAAR1
SCHEMBL4467676 0.76 HPGD (0.53) HPGDMEN1KMT2ASMN1; SMN2TAAR1
SCHEMBL15904166 0.74 ALDH1A1 (0.52) HPGDMEN1KMT2ASMN1; SMN2HDAC1
SCHEMBL7560193 0.74 ESR1 (0.40) HDAC1HDAC8HDAC2
SCHEMBL7553069 0.74 ESR1 (0.40) HDAC1HDAC8HDAC2
SCHEMBL7555090 0.74 ESR1 (0.40) HDAC1HDAC8HDAC2

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