SCHEMBL8440602

SCHEMBL8440602

CC(=O)C=C(C(=O)O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 4/20 0.55
AKR1C2 P52895 3/20 0.47
AKR1C3 P42330 3/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
PTGS2 P35354 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 3/20 0.44
NFE2L2 Q16236 1/20 0.43
TSHR P16473 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL12670458 0.87 CES2 (0.52) AKR1C1AKR1C2AKR1C3CA12CA1
SCHEMBL19799207 0.83 CES2 (0.43) AKR1C1AKR1C2AKR1C3CA12CA1
SCHEMBL164580 0.82 AKR1C1 (0.59) AKR1C1AKR1C2AKR1C3CA12CA1
SCHEMBL165294 0.82 AKR1C1 (0.59) AKR1C1AKR1C2AKR1C3CA12CA1
SCHEMBL164579 0.82 AKR1C1 (0.59) AKR1C1AKR1C2AKR1C3CA12CA1
SCHEMBL14065957 0.82 CES2 (0.42) AKR1C1AKR1C2AKR1C3CA12CA1
SCHEMBL27489619 0.80 NFE2L2 (0.61) AKR1C1AKR1C2AKR1C3CA12CA1
SCHEMBL4793306 0.80 CA12 (0.65) AKR1C1AKR1C2AKR1C3CA12CA1
Hydrochloric Acid SCHEMBL3674640 0.80 AKR1C1 (0.57) AKR1C1AKR1C2AKR1C3CA12CA1
SCHEMBL4730610 0.80 NFE2L2 (0.61) AKR1C1AKR1C2AKR1C3CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908495-A COLORANT; A MODIFIED PHOTOREACTOR; AND A LIQUID VEHICLE WHEREIN THE COLORANT IS RENDERED LIGHT-STABLE IN THE MIXTURE NOHR RONALD SINCLAIR (US) 1999-06-01 US disclosed
US-5849411-A Polymer film, nonwoven web and fibers containing a photoreactor composition KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-12-15 US disclosed
US-5811199-A Adhesive compositions containing a photoreactor composition KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-09-22 US disclosed
US-5798015-A Method of laminating a structure with adhesive containing a photoreactor composition KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-08-25 US disclosed
US-5773182-A IN PRESENCE OF A RADIATION TRANSORBER KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-06-30 US disclosed
US-5747550-A Method of generating a reactive species and polymerizing an unsaturated polymerizable material KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-05-05 US disclosed
US-5739175-A Photoreactor composition containing an arylketoalkene wavelength-specific sensitizer KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-04-14 US disclosed
US-5721287-A RADIATING IN PRESENCE OF TRANSORBER KIMBERLY-CLARK WORLDWIDE, INC. 1998-02-24 US disclosed
US-5700850-A PHOTOSTABILITY; COLORANT AND RADIATION ABSORBER KIMBERLY-CLARK WORLDWIDE (US) 1997-12-23 US disclosed
US-5681380-A MIXTURE OF COLORANT, AN ARYLKETOALKENE COMPOUND AND A LIQUID VEHICLE KIMBERLY-CLARK WORLDWIDE, INC. (US) 1997-10-28 US disclosed