SCHEMBL6930896

SCHEMBL6930896

C=Cc1ccc(C(O)C(=O)c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.69
CES2 O00748 3/20 0.69
CES1 P23141 3/20 0.69
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.44
AKT1 P31749 1/20 0.42
S1PR3 Q99500 1/20 0.41
HPGD P15428 1/20 0.41
HDAC2 Q92769 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
MDM2 Q00987 1/20 0.38

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
SCHEMBL9282441 0.93 LMNA (0.69) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL3757038 0.91 CES2 (0.55) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL27583890 0.86 LMNA (0.69) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL4293775 0.84 L3MBTL1 (0.69) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL37126 0.84 LMNA (0.78) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL10487734 0.83 LMNA (0.60) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL30306610 0.83 ALDH1A1 (0.52) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL29167409 0.83 LMNA (0.91) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL10646810 0.83 LMNA (0.91) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL27562303 0.83 LMNA (0.91) LMNACES2CES1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216142-A4 THERMOFORMABLE OPHTHALMIC LENS NOVARTIS AG (CH) 2003-06-11 EP disclosed
EP-1216142-A1 THERMOFORMABLE OPHTHALMIC LENS Wesley Jessen Corporation (US) 2002-06-26 EP disclosed
WO-2001005578-A1 THERMOFORMABLE OPHTHALMIC LENS WESLEY-JESSEN CORPORATION (US) 2001-01-25 WO disclosed
US-5466721-A Citral acetal ethers of alpha-hydroxy phenyl ketones and radiation curable compositions thereof HENKEL CORPORATION (US) 1995-11-14 US disclosed
WO-1994029355-A1 CITRAL ACETAL ETHERS OF ALPHA-HYDROXY PHENYL KETONES AND POLYMERIZABLE COMPOSITIONS HENKEL CORPORATION (US) 1994-12-22 WO disclosed