SCHEMBL9075908

SCHEMBL9075908

O=Cc1cc(Cl)ccc1OCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2B P41595 1/20 0.46
HTR6 P50406 1/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
JAK2 O60674 1/20 0.44
ZAP70 P43403 1/20 0.44

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
SCHEMBL9074689 0.93 MEN1 (0.54) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL1119150 0.85 JAK2 (0.57) MEN1KMT2AKDM4EL3MBTL1SLC6A4
SCHEMBL7143354 0.84 BCHE (0.47) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL7148350 0.84 PTGES (0.53)
SCHEMBL9077723 0.82 PTGDR2 (0.58) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL7148366 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EPKML3MBTL1HTR2C
SCHEMBL1300234 0.79 HPGD (0.60) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL7143453 0.79 PTGES (0.49)
SCHEMBL8393097 0.79 GAA (0.61) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL28847207 0.78 KDM4E (0.54) MEN1KMT2AALDH1A1KDM4EPKM

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
US-5495046-A PSYCHOLOGICAL DISORDERS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1996-02-27 US disclosed
EP-0641766-A1 ALKOXYPHENYLALKYLAMINE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-03-08 EP disclosed