SCHEMBL4623625

SCHEMBL4623625

C#CCOCC#Cc1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PYCR1 P32322 7/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAOB P27338 2/20 0.33
▸ MAOA P21397 1/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL4622686 0.90 KCNH2 (0.41) KCNH2LMNAPYCR1MMP2MMP12
SCHEMBL13259162 0.81 KDM4E (0.51) HTTKCNH2LMNAKDM4EMMP2
SCHEMBL9209153 0.79 KCNH2 (0.41) HTTL3MBTL1KCNH2LMNAPYCR1
SCHEMBL17971132 0.76 PYCR1 (0.38) HTTL3MBTL1LMNAPYCR1KDM4E
SCHEMBL25864597 0.75 CYP3A4 (0.41) KCNH2LMNAPYCR1MMP2HPGD
SCHEMBL81530 0.71 MMP2 (0.47) HTTL3MBTL1LMNAPYCR1KDM4E
SCHEMBL17757994 0.71 IDO1 (0.48) PYCR1MAOBMAOAHTR2A
SCHEMBL26675160 0.70 PYCR1 (0.37) KCNH2LMNAPYCR1
SCHEMBL18894300 0.70 APP (0.56) KCNH2MMP2MMP12
SCHEMBL3805100 0.70 CA12 (0.53) PYCR1HPGDMAOBMAOA

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-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 — — EP disclosed
Send feedback