SCHEMBL9805754

SCHEMBL9805754

O=CCCCCCCCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCEH1 Q6PIU2 1/20 0.39
MAPK1 P28482 1/20 0.39
LSS P48449 1/20 0.38
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9697431 0.84 MEN1 (0.45) HDAC1SLC6A2SLC6A4MEN1NPC1
SCHEMBL10574614 0.84 HDAC1 (0.56) HDAC1NPSR1MEN1NPC1RAB9A
SCHEMBL9472471 0.84 HDAC1 (0.56) HDAC1NPSR1MEN1NPC1RAB9A
SCHEMBL5255768 0.83 DRD4 (0.49) RAB9ASMN1; SMN2L3MBTL1LSSKDM4E
SCHEMBL98467 0.81 KDM4E (0.54) MEN1RAB9AKMT2ALMNAL3MBTL1
SCHEMBL7701212 0.80 NPC1 (0.47) HDAC1NPSR1SLC6A2SLC6A4NPC1
SCHEMBL12370647 0.80 NPC1 (0.47) HDAC1NPSR1SLC6A2SLC6A4NPC1
SCHEMBL7690100 0.80 NPC1 (0.47) HDAC1NPSR1SLC6A2SLC6A4NPC1
SCHEMBL7689586 0.80 NPC1 (0.47) HDAC1NPSR1SLC6A2SLC6A4NPC1
SCHEMBL7697654 0.80 NPC1 (0.47) HDAC1NPSR1SLC6A2SLC6A4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251472-B1 PESTICIDAL UNSATURATED LIPID AMIDES THE WELLCOME FOUNDATION LIMITED (GB) 1991-04-17 EP disclosed
EP-0251472-A2 Pesticidal unsaturated lipid amides THE WELLCOME FOUNDATION LIMITED (GB) 1988-01-07 EP disclosed