SCHEMBL625697

SCHEMBL625697

C/C(=C\c1ccc2ccccc2c1)C(=O)O.C=C(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.47
AKR1C3 P42330 2/20 0.44
DHODH Q02127 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PTPN1 P18031 1/20 0.38
CDC25B P30305 1/20 0.38
PLK1 P53350 1/20 0.38
PTK2B Q14289 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL29966982 0.83 AKR1C3 (0.63) AKR1C3DHODHKDM4EPTPN1L3MBTL1
SCHEMBL51774 0.83 AKR1C3 (0.63) AKR1C3DHODHKDM4EPTPN1L3MBTL1
SCHEMBL122093 0.83 AKR1C3 (0.63) AKR1C3DHODHKDM4EPTPN1L3MBTL1
SCHEMBL625699 0.82 AKR1C3 (0.49) AKR1C3DHODHCYP3A4KDM4EPTPN1
Hydrochloric Acid SCHEMBL27571578 0.81 AKR1C3 (0.61) AKR1C3DHODHKDM4EPTPN1L3MBTL1
Hydrochloric Acid SCHEMBL6780341 0.81 AKR1C3 (0.61) AKR1C3DHODHKDM4EPTPN1L3MBTL1
SCHEMBL17310565 0.80 AKR1C3 (0.56) AKR1C2AKR1C3DHODHCYP1A2CYP2C19
SCHEMBL1995939 0.78 AKR1C3 (0.61) AKR1C3DHODHKDM4EPTPN1L3MBTL1
SCHEMBL35405 0.78 NR4A1 (0.64) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8746638 0.77 AKR1C3 (0.61) AKR1C3DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380775-B1 OPTICALLY PERMEABLE, DEEP DRAWABLE ELECTRODE AND FLAT ELEMENT COMPRISING SAME FOR EL FILMS/LAMPS TESA SE (DE) 2016-11-23 EP disclosed
EP-1882707-B1 bimodal acrylate adhesive mass for gluing low energy and rough surfaces TESA SE (DE) 2016-05-18 EP disclosed
WO-2012020009-A1 LIGHTING MEANS WHICH CAN IN PARTICULAR BE THERMOFORMED TESA SE (DE) 2012-02-16 WO disclosed
EP-2380775-A1 Optically permeable, deep drawable electrode and flat element comprising same for EL films/lamps tesa SE (DE) 2011-10-26 EP disclosed
EP-2001969-B1 ELECTROLUMINESCENT ADHESIVE MASSES TESA SE (DE) 2011-08-03 EP disclosed
EP-2334516-A2 EMBOSSABLE LICENSE PLATE TESA SE (DE) 2011-06-22 EP disclosed
WO-2010037712-A2 EMBOSSABLE LICENSE PLATE TESA SE (DE) 2010-04-08 WO disclosed
WO-2010037673-A2 EMBOSSABLE LICENSE PLATE TESA SE (DE) 2010-04-08 WO disclosed
EP-2168816-A1 Embossable licence plate Sauer, Arno Martin (DE) 2010-03-31 EP disclosed
EP-2001969-A1 ELECTROLUMINESCENT ADHESIVE MASSES Tesa AG (DE) 2008-12-17 EP disclosed
EP-1882707-A1 bimodal acrylate adhesive mass for gluing low energy and rough surfaces Tesa AG (DE) 2008-01-30 EP disclosed
WO-2007107591-A1 ELECTROLUMINESCENT ADHESIVE MASSES TESA AG (DE) 2007-09-27 WO disclosed