SCHEMBL9715739

SCHEMBL9715739

CCC1(C=CC=Cc2ccccc2)C=CC=CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
LMNA P02545 4/20 0.33
ALDH1A1 P00352 4/20 0.33
TRPA1 O75762 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
CYP3A4 P08684 1/20 0.32
RELA Q04206 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31

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
SCHEMBL9715775 0.75 MAOB (0.40) MAOBLMNAALDH1A1TRPA1ALOX5
SCHEMBL10593116 0.74
SCHEMBL9715726 0.74 RAB9A (0.43) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28437572 0.73 RIPK2 (0.37) RAB9ASIGMAR1TDP1
SCHEMBL9715733 0.72 MAOB (0.40) MAOBLMNAALDH1A1TRPA1ALOX5
SCHEMBL28608503 0.72
SCHEMBL28438464 0.71 ALOX15 (0.32) ALDH1A1CYP3A4TDP1
SCHEMBL9715711 0.70 FBP1 (0.38) MAOBLMNAALDH1A1TRPA1ALOX5
SCHEMBL28136076 0.69 MAOB (0.37) MAOBLMNAALDH1A1TRPA1ALOX5
SCHEMBL8742114 0.68 MAOB (0.35) MAOBLMNAALDH1A1TRPA1ALOX5

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 5 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