SCHEMBL3293108

SCHEMBL3293108

C=CCOC(=O)C=C.CC(=CC(C=Cc1ccccc1)=Cc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
CASP1 P29466 1/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
APP P05067 1/20 0.40
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX12 P18054 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.36
CYP3A4 P08684 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
SCHEMBL8838021 0.86 HPGD (0.47) AKR1C3KDM4EAPPTDP1AKR1B10
SCHEMBL186692 0.83 AKR1C3 (0.59) AKR1C3LMNAMAPTGLATDP1
SCHEMBL4900973 0.80 LMNA (0.44) AKR1C3CASP1LMNAKMT2AKDM4E
SCHEMBL17746701 0.78 APP (0.47) CASP1LMNAKMT2AKDM4EMEN1
SCHEMBL3838560 0.76 AKR1C3 (0.51) AKR1C3KMT2AKDM4EMEN1MAPT
Allyl Cinnamate SCHEMBL45456 0.76 APP (0.63) CASP1LMNAKMT2AKDM4EMEN1
Allyl Cinnamate SCHEMBL30689543 0.76 APP (0.63) CASP1LMNAKMT2AKDM4EMEN1
Allyl Cinnamate SCHEMBL45457 0.76 APP (0.63) CASP1LMNAKMT2AKDM4EMEN1
Styrene SCHEMBL8097534 0.74 MEN1 (0.47) AKR1C3CASP1LMNAKMT2AKDM4E
SCHEMBL7849380 0.73 GLA (0.50) AKR1C3LMNAKMT2AMAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7699921-B2 Ink composition for ink jet printer SEIKO EPSON CORPORATION (JP) 2010-04-20 US disclosed
US-20080255298-A1 Water, a pigment/polymer dispersion, sulfonated addition polymer and a ultrapenetrating agent to achieve: colorfastness; waterproofing; high gloss; antibronzing agents; antisoilants; uniform color density; improvement of fixing ability without impairing ejection stability; uniform color density SEIKO EPSON CORPORATION 2008-10-16 US disclosed
US-7405245-B2 Ink composition for ink jet printer SEIKO EPSON CORPORATION (JP) 2008-07-29 US disclosed
US-20020120034-A1 Ink composition for ink jet printer SEIKO EPSON CORPORATION 2002-08-29 US disclosed