SCHEMBL10465009

SCHEMBL10465009

CCCCC(=O)NCc1ccc(C#CCCOCCCCCCNCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.51
LMNA P02545 2/20 0.47
FAAH O00519 2/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
NCOR2 Q9Y618 2/20 0.45
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL10477796 0.80 KDM4E (0.40) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL9763021 0.80 AR (0.51) LMNACNR2CNR1HPGDALDH1A1
SCHEMBL8468019 0.76 EPHX2 (0.74) EPHX2LMNAFAAHCNR2CNR1
SCHEMBL9762652 0.75 POLB (0.51) HDAC3HDAC1HDAC2HDAC8NCOR2
Benzene SCHEMBL27952372 0.74 MAOA (0.65) LMNACNR2CNR1MEN1KMT2A
SCHEMBL23833689 0.74 EPHX2 (0.63) EPHX2LMNAFAAHCNR2CNR1
SCHEMBL9320936 0.73 MAOA (0.62) LMNACNR2CNR1HPGDALDH1A1
SCHEMBL4401015 0.73 EPHX2 (0.87) EPHX2LMNAFAAHHDAC3HDAC1
SCHEMBL9762649 0.73 HDAC3 (0.48) EPHX2LMNAHDAC3HDAC1HDAC2
SCHEMBL28885557 0.72 MEN1 (0.67) EPHX2LMNAFAAHMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4908386-A Pharmaceuticals GLAXO GROUP LIMITED (GB) 1990-03-13 US disclosed
US-4853382-A TREATING ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
EP-0178919-B1 AMINOPHENOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1988-12-21 EP disclosed
US-4730008-A STIMULANT FOR BETA-ADRENORECEPTORS GLAXO GROUP LIMITED (GB) 1988-03-08 US disclosed
EP-0220054-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1987-04-29 EP disclosed