SCHEMBL9715732

SCHEMBL9715732

C=Cc1ccccc1C(=C)c1ccc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.41
KMT2A Q03164 4/20 0.37
HSD11B1 P28845 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 3/20 0.36
HTT P42858 2/20 0.36
HSP90AA1 P07900 2/20 0.36
ALOX12 P18054 2/20 0.36
ABCB1 P08183 1/20 0.35
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK14 Q16539 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL6547421 0.83 MAPK14 (0.44) NFE2L2KMT2AHSD11B1SMN1; SMN2TDP1
SCHEMBL6547363 0.80 TDP1 (0.48) NFE2L2KMT2AHSD11B1SMN1; SMN2TDP1
SCHEMBL29883022 0.80 TDP1 (0.48) NFE2L2KMT2AHSD11B1SMN1; SMN2TDP1
SCHEMBL22078945 0.78 KMT2A (0.43) NFE2L2KMT2AHSD11B1SMN1; SMN2TDP1
SCHEMBL6548152 0.75 HSD11B1 (0.43) NFE2L2KMT2AHSD11B1SMN1; SMN2MAPT
SCHEMBL6546292 0.74 NFE2L2 (0.46) NFE2L2KMT2AHSD11B1SMN1; SMN2TDP1
SCHEMBL9717374 0.72 NFE2L2 (0.40) NFE2L2KMT2AHSD11B1SMN1; SMN2TDP1
SCHEMBL29189279 0.72 ALDH1A1 (0.43) NFE2L2KMT2ASMN1; SMN2TDP1MAPT
SCHEMBL12194434 0.71 MAPK14 (0.42) NFE2L2KMT2AMAPTLMNAMEN1
SCHEMBL23819857 0.70 NFE2L2 (0.42) NFE2L2KMT2AHSD11B1SMN1; SMN2TDP1

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