SCHEMBL9715775

SCHEMBL9715775

COC1(C=CC=Cc2ccccc2)C=CC=CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
TRPA1 O75762 3/20 0.34
NFE2L2 Q16236 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP1A1 P04798 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP1B1 Q16678 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL9715739 0.75 MAOB (0.41) MAOBTRPA1LMNAALDH1A1ALOX5
SCHEMBL9715750 0.75 HDAC3 (0.38) MAOBLMNAALDH1A1HDAC3HDAC4
SCHEMBL9715733 0.71 MAOB (0.40) MAOBTRPA1LMNAALDH1A1ALOX5
SCHEMBL28666645 0.71
Hydrogen Sulfide SCHEMBL28261934 0.70
SCHEMBL9715726 0.70 RAB9A (0.43) LMNAALDH1A1
SCHEMBL9715711 0.69 FBP1 (0.38) MAOBTRPA1NFE2L2LMNAALDH1A1
SCHEMBL28136076 0.68 MAOB (0.37) MAOBTRPA1NFE2L2LMNAALDH1A1
SCHEMBL8742114 0.67 MAOB (0.35) MAOBTRPA1NFE2L2LMNAALDH1A1
SCHEMBL1828409 0.66 MAOB (0.34) MAOBTRPA1NFE2L2LMNAALDH1A1

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