SCHEMBL686735

SCHEMBL686735

C=CC=CCC(=CC=Cc1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
MAOB P27338 3/20 0.39
PAM P19021 1/20 0.39
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
GRIK1 P39086 1/20 0.35
POLB P06746 1/20 0.35
TRPA1 O75762 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 2/20 0.35
PLIN1 O60240 1/20 0.35
BCHE P06276 1/20 0.35
TNFRSF1A P19438 1/20 0.35
ACHE P22303 1/20 0.35
RECQL P46063 1/20 0.35
PLIN5 Q00G26 1/20 0.35
CYP1B1 Q16678 1/20 0.35
ABHD5 Q8WTS1 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL18760121 0.83 LMNA (0.42) LMNAMAOBPAMALDH1A1KDM4E
SCHEMBL28023700 0.83 LMNA (0.43) LMNAMAOBPAMALDH1A1KDM4E
SCHEMBL5101844 0.75 LMNA (0.48) LMNAMAOBALDH1A1KDM4EGRIK1
SCHEMBL22192129 0.75 LMNA (0.48) LMNAMAOBALDH1A1KDM4EGRIK1
SCHEMBL1507331 0.75 MAOB (0.46) LMNAMAOBALDH1A1KDM4EGRIK1
SCHEMBL27832878 0.75 LMNA (0.49) LMNAMAOBPAMALDH1A1KDM4E
SCHEMBL10803899 0.73 HDAC3 (0.43) LMNAMAOBPAMALDH1A1POLB
SCHEMBL8857080 0.72 MAOB (0.43) LMNAMAOBALDH1A1KDM4ETRPA1
SCHEMBL5347062 0.71 PAM (0.53) LMNAMAOBPAMTRPA1MAPT
SCHEMBL369667 0.71 LMNA (0.44) LMNAMAOBALDH1A1KDM4EGRIK1

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-1242471-B1 SUBSTITUTED GROUP 4 METAL COMPLEXES, CATALYSTS AND OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-29 EP claimed