SCHEMBL4359283

SCHEMBL4359283

C=CC(=C)C.C=CC=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
MAOB P27338 1/20 0.50
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
ALOX5 P09917 2/20 0.43
MAPK1 P28482 2/20 0.43
TRPA1 O75762 1/20 0.43
CYP2C19 P33261 1/20 0.42
ALOX15 P16050 1/20 0.41
PSMD14 O00487 1/20 0.41
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 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
SCHEMBL4359280 1.00 CYP3A4 (0.51) CYP3A4MAOBGLATDP1ALDH1A1
SCHEMBL27513947 0.98 CYP3A4 (0.50) CYP3A4MAOBGLATDP1ALDH1A1
Styrene SCHEMBL5175176 0.94 CYP3A4 (0.51) CYP3A4MAOBGLATDP1ALDH1A1
SCHEMBL11174960 0.92 CYP3A4 (0.53) CYP3A4MAOBGLATDP1ALDH1A1
Acetone SCHEMBL10911886 0.86 GLA (0.55) CYP3A4MAOBGLATDP1ALDH1A1
SCHEMBL33879 0.85 MAOB (0.68) CYP3A4MAOBALDH1A1LMNAALOX5
SCHEMBL4936136 0.85 MAOB (0.68) CYP3A4MAOBALDH1A1LMNAALOX5
SCHEMBL27481341 0.85 MAOB (0.68) CYP3A4MAOBALDH1A1LMNAALOX5
SCHEMBL93419 0.85 MAOB (0.68) CYP3A4MAOBALDH1A1LMNAALOX5
SCHEMBL4780260 0.85 CYP3A4 (0.49) CYP3A4MAOBGLATDP1ALDH1A1

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
CN-102432757-B Copolymers of conjugated triene for improved filler interactions GOODYEAR TIRE & RUBBER 2015-07-22 CN disclosed
CN-102686624-B Polymerization of isoprene from renewable resources DANISCO US INC 2015-02-25 CN disclosed
CN-102686624-A Polymerization of isoprene from renewable resources DANISCO US INC 2012-09-19 CN disclosed
CN-102432757-A Copolymers of conjugated triene for improved filler interactions GOODYEAR TIRE & RUBBER 2012-05-02 CN disclosed
EP-1193078-B1 Ink jet image recording method FUJIFILM CORP (JP) 2009-04-15 EP disclosed
US-6604819-B2 Ink jet image recording method FUJI PHOTO FILM CO., LTD. (JP) 2003-08-12 US disclosed
US-20020060727-A1 Ink jet image recording method FUJIFILM CORPORATION (JP) 2002-05-23 US disclosed
EP-1193078-A2 Ink jet image recording method FUJI PHOTO FILM CO., LTD. (JP) 2002-04-03 EP disclosed