SCHEMBL9715733

SCHEMBL9715733

O=C(O)C1(C=CC=Cc2ccccc2)C=CC=CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.40
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
ALDH1A1 P00352 4/20 0.38
MAOA P21397 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 2/20 0.36
TRPA1 O75762 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL9715750 0.85 HDAC3 (0.38) MAOBHDAC3HDAC4HDAC1HDAC2
SCHEMBL9715726 0.83 RAB9A (0.43) ALDH1A1MAPTPOLBNPC1LMNA
SCHEMBL9715739 0.72 MAOB (0.41) MAOBHDAC3HDAC4HDAC1HDAC2
SCHEMBL28766223 0.72 CYP3A4 (0.35) GLATDP1
SCHEMBL9715711 0.72 FBP1 (0.38) MAOBHDAC3HDAC4HDAC1HDAC2
SCHEMBL9715775 0.71 MAOB (0.40) MAOBHDAC3HDAC4HDAC1HDAC2
SCHEMBL1828409 0.69 MAOB (0.34) MAOBHDAC3HDAC4HDAC1HDAC2
SCHEMBL23884732 0.69
SCHEMBL28136076 0.68 MAOB (0.37) MAOBHDAC3HDAC4HDAC1HDAC2
SCHEMBL22572818 0.68 MAPT (0.44) MAOBHDAC3HDAC4HDAC1HDAC2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311689-B1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-06-10 EP disclosed
EP-0304495-B1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 EP disclosed
US-4982007-A CARBONYLATION CATALYST NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-01-01 US disclosed
US-4908473-A Reacting a (1-arylethenyl)vinylbenzene with carbon monoxide and water or alcohol in the presence of carbonylation catalyst NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-03-13 US disclosed
EP-0311689-A1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-04-19 EP disclosed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP disclosed