SCHEMBL5134898

SCHEMBL5134898

C=CCC(=C)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GSK3B P49841 2/20 0.39
OGG1 O15527 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
LSS P48449 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL9678332 0.89 MAOA (0.35) MAOAMAOB
SCHEMBL10457849 0.80 MAPT (0.48) SMN1; SMN2CA1CA2KMT2ARECQL
SCHEMBL17868851 0.78 TPMT (0.38) MAOAMAOBGSK3BCA1CA2
SCHEMBL17868843 0.78 MAOA (0.52) MAOAMAOBCES2CES1SMN1; SMN2
SCHEMBL10457452 0.78 MASP2 (0.38) MAOAMAOBKMT2A
SCHEMBL7034834 0.78 MAOA (0.52) MAOAMAOBCES2CES1GSK3B
SCHEMBL11015525 0.78 ALDH1A1 (0.40) CES2CES1SMN1; SMN2GSK3BHDAC1
SCHEMBL30680 0.77 MAOA (0.48) MAOAMAOB
SCHEMBL3412166 0.77 GSK3B (0.57) CES2CES1SMN1; SMN2GSK3BOGG1
SCHEMBL3433300 0.77 TSHR (0.50) CES2CES1SMN1; SMN2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160186217-A1 METHOD FOR BIOCATALYTIC SYNTHESIS OF SUBSTITUTED OR UNSUBSTITUTED PHENYLACETIC ACIDS AND KETONES HAVING ENZYMES OF MICROBIAL STYRENE DEGRADATION TECHNISCHE UNIVERSITAT BERGAKADEMIE FREIBERG (DE) 2016-06-30 US disclosed
US-7385008-B2 Abrasion resistant elastomeric compositions EXXONMOBILE CHEMICAL PATENTS INC. (US) 2008-06-10 US disclosed
US-20080033101-A1 Abrasion Resistant Elastomeric Compositions EXXONMOBIL CHEMICAL PATENTS INC. 2008-02-07 US disclosed
US-7300981-B2 Abrasion resistant elastomeric compositions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-11-27 US disclosed
US-20050085594-A1 Abrasion resistant elastomeric compositions EXXONMOBIL CHEMICAL PATENTS INC. 2005-04-21 US disclosed