SCHEMBL11322258

SCHEMBL11322258

CC(C)=CC=CC=Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.61
CYP3A4 P08684 1/20 0.50
GLA P06280 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
TRPA1 O75762 1/20 0.46
ALOX5 P09917 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46

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
SCHEMBL570012 0.91 MAOB (0.59) MAOBCYP3A4GLATDP1ALDH1A1
SCHEMBL23457953 0.82 MAOB (0.54) MAOBCYP3A4GLATDP1ALDH1A1
SCHEMBL23458034 0.82 MAOB (0.54) MAOBCYP3A4GLATDP1ALDH1A1
SCHEMBL8927957 0.81 MAOB (0.93) MAOBCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL133926 0.81 MAOB (0.93) MAOBCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL466299 0.81 MAOB (0.93) MAOBCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL250402 0.81 MAOB (0.93) MAOBCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL23457944 0.81 MAOB (0.93) MAOBCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL17312322 0.81 MAOB (0.93) MAOBCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL29862371 0.81 MAOB (0.93) MAOBCYP3A4ALDH1A1LMNAMAPK1

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
CN-1150495-A Polymer-based composition for producing magnetic and magnetizable moldings SCHULMAN A GMBH (DE) 1997-05-21 CN disclosed
US-4265939-A COAGULATION UNDER TURBULENT CONDITIONS POLYSAR LIMITED (CA) 1981-05-05 US disclosed