SCHEMBL11275103

SCHEMBL11275103

C=C(C)c1ccccc1.C=CC=CC=Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
MAOB P27338 4/20 0.48
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPK1 P28482 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
SCHEMBL4780260 0.93 CYP3A4 (0.49) CYP3A4MAOBGLATDP1HDAC3
SCHEMBL6674900 0.89 MAOB (0.56) CYP3A4MAOBGLATDP1HDAC3
SCHEMBL993230 0.86 CYP3A4 (0.50) CYP3A4MAOBGLATDP1HDAC3
SCHEMBL11174960 0.86 CYP3A4 (0.53) CYP3A4MAOBGLATDP1HDAC3
SCHEMBL25370339 0.83 MAOB (0.70) CYP3A4MAOBHDAC3HDAC4HDAC1
SCHEMBL13725729 0.83 MAOB (0.70) CYP3A4MAOBHDAC3HDAC4HDAC1
SCHEMBL9651339 0.83 MAOB (0.70) CYP3A4MAOBHDAC3HDAC4HDAC1
SCHEMBL14810139 0.83 MAOB (0.70) CYP3A4MAOBHDAC3HDAC4HDAC1
SCHEMBL5011645 0.83 MAOB (0.70) CYP3A4MAOBHDAC3HDAC4HDAC1
SCHEMBL15992175 0.83 MAOB (0.70) CYP3A4MAOBHDAC3HDAC4HDAC1

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-0058217-A1 A process for producing a random copolymer and random copolymer PHILLIPS PETROLEUM COMPANY (US) 1982-08-25 EP disclosed