SCHEMBL1990973

SCHEMBL1990973

C=C(C#N)C(=O)OC(CCCC)CC(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP3A4 P08684 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL1987524 0.96 TSHR (0.50) ALDH1A1TSHRLMNAMAPK1CYP2C9
SCHEMBL540819 0.92 ALDH1A1 (0.54) ALDH1A1TSHRCYP2C9CYP3A4TDP1
SCHEMBL2297614 0.88 ALDH1A1 (0.50) ALDH1A1TSHRCYP2C9
SCHEMBL1990863 0.86 ALDH1A1 (0.57) ALDH1A1TSHRCYP2C9CYP3A4TDP1
SCHEMBL15520525 0.83 TSHR (0.47) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL3183024 0.83 TSHR (0.47) ALDH1A1TSHRLMNAMAPK1CA1
SCHEMBL16174643 0.81 TSHR (0.46) ALDH1A1TSHRLMNAMAPK1CA2
SCHEMBL26675834 0.81 TSHR (0.42) ALDH1A1TSHRLMNAMAPK1CYP2C9
SCHEMBL5279747 0.79 TSHR (0.56) ALDH1A1TSHRLMNAMAPK1CYP2C9
SCHEMBL819755 0.79 TSHR (0.46) ALDH1A1TSHRLMNAMAPK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515954-A1 OXIDIZED REGENERATED CELLULOSE ADHESIVE TAPE Advanced Technologies and Regenerative Medicine, LLC (US) 2012-10-31 EP claimed
WO-2011087722-A1 OXIDIZED REGENERATED CELLULOSE ADHESIVE TAPE ADVANCED TECHNOLOGIES AND REGENERATIVE MEDICINE, LLC (US) 2011-07-21 WO claimed
US-20110152924-A1 OXIDIZED REGENERATED CELLULOSE ADHESIVE TAPE ADVANCED TECHNOLOGIES AND REGENERATIVE MEDICINE, LLC 2011-06-23 US claimed
EP-2515954-A1 OXIDIZED REGENERATED CELLULOSE ADHESIVE TAPE Advanced Technologies and Regenerative Medicine, LLC (US) 2012-10-31 EP disclosed
WO-2011087722-A1 OXIDIZED REGENERATED CELLULOSE ADHESIVE TAPE ADVANCED TECHNOLOGIES AND REGENERATIVE MEDICINE, LLC (US) 2011-07-21 WO disclosed
US-20110152924-A1 OXIDIZED REGENERATED CELLULOSE ADHESIVE TAPE ADVANCED TECHNOLOGIES AND REGENERATIVE MEDICINE, LLC 2011-06-23 US disclosed