SCHEMBL7553674

SCHEMBL7553674

O=C(CCCCCCCCCOc1cc[c]cc1)NCCCC(F)(F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
CNR1 P21554 6/20 0.43
CNR2 P34972 6/20 0.43
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL7552498 1.00 MEN1 (0.46) MEN1KMT2AHPGDCNR1CNR2
SCHEMBL7552728 0.95 HPGD (0.46) MEN1KMT2AHPGDCNR1CNR2
SCHEMBL7559525 0.95 HPGD (0.46) MEN1KMT2AHPGDCNR1CNR2
SCHEMBL7557779 0.80 CNR2 (0.57) MEN1KMT2AHPGDCNR1CNR2
SCHEMBL4467676 0.76 HPGD (0.53) MEN1KMT2AHPGDCNR1CNR2
SCHEMBL7552633 0.75 SMN1; SMN2 (0.56) MEN1KMT2AHPGDCNR1CNR2
SCHEMBL15904166 0.74 ALDH1A1 (0.52) MEN1KMT2AHPGDHDAC1HDAC2
SCHEMBL7560193 0.74 ESR1 (0.40) HDAC1HDAC2HDAC8
SCHEMBL7553069 0.74 ESR1 (0.40) HDAC1HDAC2HDAC8
SCHEMBL7555090 0.74 ESR1 (0.40) HDAC1HDAC2HDAC8

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