SCHEMBL2277628

SCHEMBL2277628

C=Cc1ccc(C(C#N)(CC)C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL701485 0.82 ALDH1A1 (0.41) ALDH1A1CYP1A2KMT2ATSHRL3MBTL1
SCHEMBL9057994 0.81 TAS1R3 (0.35) TAS1R3TAS1R1ALDH1A1L3MBTL1
SCHEMBL7900944 0.79 CYP2C9 (0.47) ALDH1A1L3MBTL1
SCHEMBL32691849 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2TSHRTDP1L3MBTL1
SCHEMBL13101222 0.76 TDP1 (0.39) TAS1R3TAS1R1ALDH1A1CYP1A2MEN1
SCHEMBL10920744 0.72 CTSS (0.35) ALDH1A1CYP1A2MEN1KMT2ATSHR
SCHEMBL897715 0.71 ALDH1A1 (0.44) TAS1R3TAS1R1ALDH1A1CYP1A2KMT2A
SCHEMBL20534751 0.70 ALDH1A1 (0.42) ALDH1A1CYP1A2MEN1KMT2ATSHR
SCHEMBL119698 0.69 MAPT (0.47) ALDH1A1CYP1A2KMT2A
SCHEMBL10988395 0.69 MAPT (0.40) ALDH1A1KMT2ATSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989155-B2 Lithographic method NXP B.V. (NL) 2011-08-02 US disclosed
US-20090130611-A1 Lithographic Method NXP B.V. (NL) 2009-05-21 US disclosed
EP-1927030-A1 LITHOGRAPHIC METHOD NXP B.V. (NL) 2008-06-04 EP disclosed
WO-2007029177-A1 LITHOGRAPHIC METHOD NXP B.V. (NL) 2007-03-15 WO disclosed
US-5545509-A INTEGRATED CIRCUITS; HIGH DENSITY INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1996-08-13 US disclosed
EP-0599571-B1 Photoresist composition IBM (US) 1996-03-27 EP disclosed
EP-0599571-A2 Photoresist composition International Business Machines Corporation (US) 1994-06-01 EP disclosed