SCHEMBL5138671

SCHEMBL5138671

CC(=O)C1=C(C/C=C(/C)C(=O)O)c2ccccc2C1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP3 P42574 1/20 0.39
GALK1 P51570 1/20 0.39
BLM P54132 1/20 0.39
ATM Q13315 1/20 0.39
HIF1A Q16665 1/20 0.39
SENP8 Q96LD8 1/20 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
SCHEMBL458928 0.74 SLC22A12 (0.39) KDM4EMEN1MAPTKMT2AAPAF1
SCHEMBL616045 0.74 SLC22A12 (0.39) KDM4EMEN1MAPTKMT2AAPAF1
SCHEMBL5484988 0.70 POLB (0.42) MAPTKMT2APOLBAPEX1AKR1C3
SCHEMBL30528 0.68 CYP2C9 (0.51) MEN1MAPTKMT2ACYP2C9ALDH1A1
SCHEMBL30530 0.68 CYP2C9 (0.51) MEN1MAPTKMT2ACYP2C9ALDH1A1
SCHEMBL15732949 0.67 KMT2A (0.49) KMT2ASLC22A12SLC2A9APEX1AKR1C3
SCHEMBL19097598 0.67 KMT2A (0.49) KMT2ASLC22A12SLC2A9APEX1AKR1C3
Iodide SCHEMBL3761279 0.67 CYP2C9 (0.50) MEN1MAPTKMT2ACYP2C9ALDH1A1
SCHEMBL9960569 0.65 APEX1 (0.50) POLBCYP2C9APEX1AKR1C3
SCHEMBL6736212 0.64 CYP2C9 (0.47) MEN1MAPTKMT2ACYP2C9ALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296697-A4 THERAPEUTIC AGENTS - I PEPLIN RESEARCH PTY LTD (AU) 2005-02-16 EP claimed
EP-1296698-A4 THERAPEUTIC AGENTS - II PEPLIN RESEARCH PTY LTD (AU) 2005-02-16 EP claimed
EP-1320376-A2 TREATMENT OF PROSTATE CANCER Peplin Research Pty Ltd (AU) 2003-06-25 EP claimed
EP-1296697-A1 THERAPEUTIC AGENTS - I Peplin Research Pty Ltd (AU) 2003-04-02 EP claimed
EP-1296698-A1 THERAPEUTIC AGENTS - II Peplin Research Pty Ltd (AU) 2003-04-02 EP claimed
WO-2002011743-A2 TREATMENT OF PROSTATE CANCER PEPLIN RESEARCH PTY LTD (AU) 2002-02-14 WO claimed
WO-2001093884-A1 THERAPEUTIC AGENTS - I PEPLIN RESEARCH PTY. LTD. (AU) 2001-12-13 WO claimed
WO-2001093885-A1 THERAPEUTIC AGENTS - II PEPLIN RESEARCH PTY LTD (AU) 2001-12-13 WO claimed
EP-3007676-A1 A TOPICAL COMPOSITION Leo Laboratories Limited (IE) 2016-04-20 EP disclosed
WO-2014198807-A1 A TOPICAL COMPOSITION LEO LABORATORIES LIMITED (IE) 2014-12-18 WO disclosed
EP-1965818-A1 METHODS FOR WOUND HEALING Peplin Research Pty Ltd. (AU) 2008-09-10 EP disclosed
WO-2007059584-A1 METHODS FOR WOUND HEALING PEPLIN RESEARCH PTY LTD (AU) 2007-05-31 WO disclosed
EP-1296698-A4 THERAPEUTIC AGENTS - II PEPLIN RESEARCH PTY LTD (AU) 2005-02-16 EP disclosed
EP-1296697-A4 THERAPEUTIC AGENTS - I PEPLIN RESEARCH PTY LTD (AU) 2005-02-16 EP disclosed
EP-1296698-A1 THERAPEUTIC AGENTS - II Peplin Research Pty Ltd (AU) 2003-04-02 EP disclosed
EP-1296697-A1 THERAPEUTIC AGENTS - I Peplin Research Pty Ltd (AU) 2003-04-02 EP disclosed
EP-1296699-A1 THERAPEUTIC AGENTS - III Peplin Research Pty Ltd (AU) 2003-04-02 EP disclosed
WO-2001093884-A1 THERAPEUTIC AGENTS - I PEPLIN RESEARCH PTY. LTD. (AU) 2001-12-13 WO disclosed
WO-2001093883-A1 THERAPEUTIC AGENTS - III PEPLIN RESEARCH PTY LTD (AU) 2001-12-13 WO disclosed
WO-2001093885-A1 THERAPEUTIC AGENTS - II PEPLIN RESEARCH PTY LTD (AU) 2001-12-13 WO disclosed