SCHEMBL7546844

SCHEMBL7546844

C1=C\CCCCCC/C(c2ccccc2)=C/C=C/1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
ELANE P08246 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL7546837 1.00 CHRNB4 (0.32) CHRNB4CHRNA3ELANEHDAC3HDAC4
SCHEMBL7546849 1.00 CHRNB4 (0.32) CHRNB4CHRNA3ELANEHDAC3HDAC4
SCHEMBL9717611 0.98 CHRNB4 (0.33) CHRNB4CHRNA3
SCHEMBL1006893 0.90 CHRNB4 (0.35) CHRNB4CHRNA3ELANE
SCHEMBL1006892 0.90 CHRNB4 (0.35) CHRNB4CHRNA3ELANE
SCHEMBL30315864 0.85 CHRNB4 (0.32) CHRNB4CHRNA3
SCHEMBL11594509 0.84
SCHEMBL11594512 0.84
Biphenyl SCHEMBL6138056 0.77 ALDH1A1 (0.50)
Biphenyl SCHEMBL27668291 0.77 ALDH1A1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210349-A Catalytic hydrogenation using ruthenium catalyst PHILLIPS PETROLEUM COMPANY (US) 1993-05-11 US claimed
US-5171907-A Preparation of hydrogenation catalyst and hydrogenation process therewith PHILLIPS PETROLEUM COMPANY (US) 1992-12-15 US claimed
US-5128296-A Using activated ruthenium catalyst complexes PHILLIPS PETROLEUM COMPANY (US) 1992-07-07 US claimed
EP-1008573-B1 Process for the hydrogenation of polyenes to monoenes BASF AG (DE) 2002-06-12 EP disclosed
US-6194624-B1 HYDROGENATING POLYENES TO CORRESPONDING MONOENES USING HOMOGENEOUS RUTHENIUM CATALYSTS IN PRESENCE OF CARBOXYLIC ACID BASF AKTIENGESELLSCHAFT (DE) 2001-02-27 US disclosed
EP-1008573-A1 Process for the hydrogenation of polyenes to monoenes BASF AKTIENGESELLSCHAFT (DE) 2000-06-14 EP disclosed
US-5210349-A Catalytic hydrogenation using ruthenium catalyst PHILLIPS PETROLEUM COMPANY (US) 1993-05-11 US disclosed
US-5171907-A Preparation of hydrogenation catalyst and hydrogenation process therewith PHILLIPS PETROLEUM COMPANY (US) 1992-12-15 US disclosed