SCHEMBL9856631

SCHEMBL9856631

C(C#CCc1ccccc1)#CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.45
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KCNH2 Q12809 2/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
IDO1 P14902 1/20 0.41
TP53 P04637 1/20 0.41
TRPA1 O75762 1/20 0.41
MAOB P27338 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL28568072 0.88 KCNH2 (0.40) CALM1FFAR1FFAR4KCNH2TSHR
SCHEMBL10889953 0.88 FFAR1 (0.37) CALM1FFAR1FFAR4KCNH2TSHR
SCHEMBL3888886 0.88 CALM1 (0.50) CALM1FFAR1FFAR4KCNH2TSHR
SCHEMBL5318241 0.86 FFAR1 (0.36) CALM1FFAR1FFAR4KCNH2TSHR
SCHEMBL9626185 0.85 FFAR1 (0.38) CALM1FFAR1FFAR4KCNH2TSHR
SCHEMBL262056 0.85 FFAR1 (0.42) CALM1FFAR1FFAR4KCNH2TSHR
SCHEMBL10961004 0.81 CALM1 (0.39) CALM1FFAR1FFAR4KCNH2TSHR
SCHEMBL6827451 0.80 CALM1 (0.43) CALM1FFAR1FFAR4KCNH2TSHR
SCHEMBL10960997 0.78 IDO1 (0.43) CALM1FFAR1FFAR4KCNH2TSHR
SCHEMBL185558 0.78 TP53 (0.43) CALM1FFAR1FFAR4KCNH2TSHR

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-5041620-A Method for producing optically active 2-cyclopenten-4-one-1-ol esters, 2-cyclopenteno-4-one-1-ol ester and complexes thereof with optically active 1,6-diphenyl-2,4-hexadiyne-1,6-diol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-20 US claimed
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-3931093-A CURING HERCULES INCORPORATED (US) 1976-01-06 US disclosed