SCHEMBL9862141

SCHEMBL9862141

C#CC(C#C)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.42
ACHE P22303 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX5 P09917 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 5/20 0.35
CYP2A6 P11509 1/20 0.35
PYCR1 P32322 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CYP19A1 P11511 1/20 0.33
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
FFAR1 O14842 1/20 0.31
LMNA P02545 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
SCHEMBL17530144 0.77 CHRNA7 (0.41) CHRNA7ACHETDP1ALOX5ESR1
SCHEMBL21263995 0.75 CHRNA7 (0.39) CHRNA7ACHETDP1ALOX5ESR1
SCHEMBL7199129 0.75 CHRNA7 (0.39) CHRNA7ACHETDP1ALOX5ESR1
SCHEMBL3278040 0.74 ALDH1A1 (0.46) CHRNA7ACHETDP1ALOX5ESR1
SCHEMBL11663962 0.72 DPP4 (0.41) LMNA
SCHEMBL15787616 0.72 ALDH1A1 (0.38) CHRNA7ACHETDP1ESR1ESR2
SCHEMBL15787284 0.72 ALDH1A1 (0.38) CHRNA7ACHETDP1ESR1ESR2
SCHEMBL7199108 0.70 FFAR1 (0.40) CHRNA7ACHETDP1ESR1ESR2
SCHEMBL6201361 0.70 CHRNA7 (0.35) CHRNA7ACHETDP1ALOX5ESR1
SCHEMBL517129 0.69 ACHE (0.50) CHRNA7ACHETDP1ALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4097460-A DIPHENYLACETYLENE, DIPHENYLBUTADIYNE, MOLDING MATERIALS FOR HIGH TEMPERATURE APPLICATIONS HERCULES INCORPORATED (US) 1978-06-27 US claimed
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 US claimed
WO-1991009066-A1 HIGH CARBON RESINS AND FOAMS HYPERION CATALYSIS INTERNATIONAL, INC. (US) 1991-06-27 WO disclosed
EP-0095048-B1 OLIGOMER COATED ELECTRONIC CIRCUIT COMPONENT AND METHOD OF COATING International Business Machines Corporation (US) 1988-11-30 EP disclosed
US-4690962-A BLEND OF ACETYLENIC OLIGOMER WITH PLASTICIZER AND TOUGHNESS AGENTS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1987-09-01 US disclosed
US-4592944-A Integrated circuit chip sealed with a protective coating INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1986-06-03 US disclosed
EP-0095048-A2 Oligomer coated electronic circuit component and method of coating International Business Machines Corporation (US) 1983-11-30 EP disclosed
EP-0000385-B1 THERMOSETTING COMPOSITIONS BASED ON POLYARYLACETYLENES AND SUBSTITUTED POLYPHENYLENE OXIDES AND RESINS OBTAINED BY CURING THEM HERCULES INCORPORATED (US) 1981-08-26 EP disclosed
US-4144218-A MOLDING MATERIALS HERCULES INCORPORATED (US) 1979-03-13 US disclosed
EP-0000385-A1 Thermosetting compositions based on polyarylacetylenes and substituted polyphenylene oxides and resins obtained by curing them HERCULES INCORPORATED (US) 1979-01-24 EP disclosed
US-4097460-A DIPHENYLACETYLENE, DIPHENYLBUTADIYNE, MOLDING MATERIALS FOR HIGH TEMPERATURE APPLICATIONS HERCULES INCORPORATED (US) 1978-06-27 US disclosed
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 US disclosed
US-4026859-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026860-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026861-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-3993711-A THERMOSETTING RESINS; COUPLING AGENTS; CARBOXYLATED PREPOLYMER HERCULES INCORPORATED (US) 1976-11-23 US disclosed
US-3933957-A Process for producing shaped articles from an acetylenic polymer GENERAL ELECTRIC COMPANY (US) 1976-01-20 US disclosed
US-3931093-A CURING HERCULES INCORPORATED (US) 1976-01-06 US disclosed