SCHEMBL5074349

SCHEMBL5074349

C=C(C)C(=O)OC(C)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL15880773 0.87 TSHR (0.33) TSHRGAAALDH1A1KMT2A
SCHEMBL16782684 0.80 TSHR (0.42) TSHRALDH1A1
SCHEMBL28924416 0.78 TSHR (0.35) TSHRALDH1A1
SCHEMBL23494218 0.77 TSHR (0.39) TSHRALDH1A1
SCHEMBL5680226 0.75 TSHR (0.38) TSHRALDH1A1LMNA
SCHEMBL29117598 0.75 TSHR (0.38) TSHRALDH1A1LMNA
SCHEMBL107001 0.74 GAA (0.49) TSHRGAAALDH1A1KMT2AATM
SCHEMBL2878669 0.74 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL11428071 0.73 HCAR2 (0.51) TSHRGAAKMT2APOLB
Water SCHEMBL27951717 0.72 GAA (0.47) TSHRGAAALDH1A1KMT2AATM

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
EP-1798248-B1 WATER-DISPERSED POLYURETHANE COMPOSITION ADEKA CORP (JP) 2014-03-12 EP disclosed
US-20080194757-A1 Water-Dispersed Polyurethane Composition ADEKA CORPORATION (JP) 2008-08-14 US disclosed
EP-1798248-A1 WATER-DISPERSED POLYURETHANE COMPOSITION Adeka Corporation (JP) 2007-06-20 EP disclosed
EP-0879855-A1 THERMOPLASTIC RESIN COMPOSITION AND FILM MADE FROM THE COMPOSITION Mitsui Chemicals, Inc. (JP) 1998-11-25 EP disclosed