SCHEMBL8022876

SCHEMBL8022876

N#CC(=C(O)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX12 P18054 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
GLA P06280 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 3/20 0.39
ALOX15 P16050 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL28310324 0.88 KMT2A (0.47) CES2CES1MEN1KMT2AMAPT
SCHEMBL8032319 0.85 CES2 (0.48) CES2CES1MEN1KMT2AMAPT
SCHEMBL8032317 0.85 CES2 (0.48) CES2CES1MEN1KMT2AMAPT
SCHEMBL8032369 0.82 NR4A1 (0.41) CES2CES1MEN1KMT2AMAPT
SCHEMBL8032364 0.82 NR4A1 (0.41) CES2CES1MEN1KMT2AMAPT
SCHEMBL5189613 0.79 KMT2A (0.55) CES2CES1MEN1KMT2AMAPT
SCHEMBL9621956 0.78 CES2 (0.42) CES2CES1MEN1KMT2AMAPT
SCHEMBL7066549 0.76 MGLL (0.45) MEN1KMT2AMAPTLMNANPC1
SCHEMBL7066546 0.76 MGLL (0.45) MEN1KMT2AMAPTLMNANPC1
SCHEMBL1898420 0.76 KMT2A (0.52) CES2CES1MEN1KMT2AMAPT

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-0983997-A1 RESINS FOR ANTIFOULING AGENTS AGAINST PERIPHYTONS, PROCESS FOR THE PREPARATION OF THE RESINS, AND ANTIFOULING AGENTS AGAINST PERIPHYTONS CONTAINING THE SAME IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-03-08 EP disclosed