SCHEMBL9806322

SCHEMBL9806322

C1=C(C(c2ccccc2)c2ccccc2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 6/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2D6 P10635 4/20 0.33
CYP2C9 P11712 4/20 0.33
KCNA5 P22460 4/20 0.33
CYP2C19 P33261 4/20 0.33
KCNH2 Q12809 4/20 0.33
HTR2A P28223 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CFTR P13569 1/20 0.32
GOPC Q9HD26 1/20 0.32
KCNE1 P15382 1/20 0.32
TSHR P16473 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL29420224 0.98 NPSR1 (0.38) NPSR1SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL15229060 0.94 NPSR1 (0.38) NPSR1SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL4653936 0.82 NPSR1 (0.38) NPSR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL5798178 0.80 NPSR1 (0.37) NPSR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL8641835 0.76 TRPA1 (0.37) NPSR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL10362582 0.76 NPSR1 (0.50) NPSR1MEN1KMT2ACYP2D6TDP1
SCHEMBL10416883 0.73 GABRA1 (0.39) NPSR1MEN1KMT2ACYP3A4TSHR
SCHEMBL14762186 0.71 NPSR1 (0.35) NPSR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4999696 0.71 NPSR1 (0.34) NPSR1MEN1KMT2A
SCHEMBL8469882 0.71 NPSR1 (0.36) NPSR1MEN1KMT2AIDO1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994539-A Ethylene-unsaturated aromatic copolymer NIPPON PETROCHEMICALS CO., LTD. (JP) 1991-02-19 US disclosed
EP-0180771-B1 METHOD FOR IMPROVING IMPULSE BREAKDOWN STRENGTH OF ELECTRICALLY INSULATING MATERIALS Nippon Petrochemicals Co., Ltd. (JP) 1989-08-02 EP disclosed
EP-0174378-B1 ELECTRICAL-INSULATING OIL AND OIL-FILLED ELECTRICAL APPLIANCES NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-07-12 EP disclosed
EP-0114385-B1 ELECTRICAL INSULATING OIL AND OIL-FILLED ELECTRICAL APPLIANCES NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-08-05 EP disclosed
EP-0103868-B1 IMPROVED ELECTRICAL INSULATING OIL AND OIL-FILLED ELECTRICAL APPLIANCES NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-04-08 EP disclosed
EP-0180771-A1 Method for improving impulse breakdown strength of electrically insulating materials Nippon Petrochemicals Co., Ltd. (JP) 1986-05-14 EP disclosed
US-4543207-A ORGANIC ACID ESTERS, AROMATIC ETHERS, ANIMAL OILS, VEGETABLE OILS,AND AROMATIC OLEFINS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1985-09-24 US disclosed
US-4506107-A CAPACITORS, CABLES, TRANSFORMERS, PLASTICS NIPPON PETROCHEMICAL COMPANY, LIMITED (JP) 1985-03-19 US disclosed
US-4493943-A MIXTURES OF DIARYLALKANES AND AROMATIC MONO-OR DI-OLEFINS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1985-01-15 US disclosed
EP-0114385-A2 Electrical insulating oil and oil-filled electrical appliances NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1984-08-01 EP disclosed
EP-0103868-A2 Improved electrical insulating oil and oil-filled electrical appliances NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1984-03-28 EP disclosed