SCHEMBL9715778

SCHEMBL9715778

C=Cc1ccccc1C(=C)CCCCC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
TSHR P16473 4/20 0.37
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX7 Q99572 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
EPHX2 P34913 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
SCHEMBL7574908 0.95 MEN1 (0.36) LMNATSHRCES2CES1TP53
SCHEMBL6046923 0.84 TSHR (0.44) LMNATSHRCES2CES1TP53
SCHEMBL10954033 0.81 HTT (0.47) LMNATSHRCES2CES1TP53
SCHEMBL547241 0.81 HTT (0.47) LMNATSHRCES2CES1TP53
SCHEMBL536537 0.80 ALDH1A1 (0.39) TSHRCYP3A4ALDH1A1
SCHEMBL27271434 0.79 IAPP (0.37) LMNATSHRCES2CES1TP53
Hexane SCHEMBL10533800 0.78 ALDH1A1 (0.46) LMNATSHRTDP1ALDH1A1L3MBTL1
SCHEMBL29175153 0.77 MAOA (0.50) LMNATSHRCES2CES1TP53
SCHEMBL10791012 0.77 TSHR (0.40) LMNATSHRCES2CES1TP53
SCHEMBL7923699 0.77 NAAA (0.49) LMNATSHRCES2CES1TP53

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 26 patents — showing the first 20. 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 claimed
EP-0304495-B1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 EP claimed
US-4982007-A CARBONYLATION CATALYST NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-01-01 US claimed
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 claimed
EP-0311689-A1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-04-19 EP claimed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP claimed
JP-63233945-A None JP disclosed
JP-63233949-A None JP disclosed
EP-0311689-B1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-06-10 EP disclosed
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
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
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
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP disclosed
JP-S63233949-A SELECTIVE HYDROESTERICATION OF DIOLEFIN NIPPON PETROCHEM CO LTD 1988-09-29 JP disclosed
JP-S63233945-A SELECTIVE HYDROFORMYLATION OF DIOLEFIN NIPPON PETROCHEM CO LTD 1988-09-29 JP disclosed
WO-1988007034-A1 PROCESS FOR SELECTIVELY HYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-09-22 WO disclosed
WO-1988007033-A1 PROCESS FOR SELECTIVELY HYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-09-22 WO disclosed