SCHEMBL18174934

SCHEMBL18174934

Cc1cccc(OCC(C)(C)C(=O)[N+](=O)[O-])c1C#N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
SSTR4 P31391 4/20 0.38
SSTR1 P30872 1/20 0.35
AR P10275 6/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
EZH2 Q15910 1/20 0.32
POLB P06746 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
SCHEMBL18174935 0.83 CYP2C9 (0.56) CYP2C9SSTR4SSTR1ARALDH1A1
SCHEMBL18174932 0.76 ALDH1A1 (0.46) SSTR4ARALDH1A1HTTNPSR1
SCHEMBL13476058 0.76 ALDH1A1 (0.46) CYP2C9ALDH1A1HTTNPSR1KMT2A
SCHEMBL13476059 0.75 NPSR1 (0.46) SSTR4ALDH1A1HTTNPSR1KMT2A
SCHEMBL618611 0.73 ALDH1A1 (0.43) SSTR4ALDH1A1HTTNPSR1KMT2A
SCHEMBL2416326 0.70 ALDH1A1 (0.45) ALDH1A1HTTHPGDKMT2AMAPT
SCHEMBL621268 0.70 KMT2A (0.43) SSTR4SSTR1ALDH1A1HTTHPGD
SCHEMBL621577 0.70 ALDH1A1 (0.43) ALDH1A1HTTNPSR1MRGPRX4KMT2A
SCHEMBL16479679 0.69 CYP2C9 (0.48) CYP2C9SSTR4SSTR1ARMRGPRX4
SCHEMBL617944 0.69 CYP2C9 (0.48) CYP2C9SSTR4ARALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3085699-A2 PROCESSES AND INTERMEDIATES FOR MAKING SWEET TASTE ENHANCERS Senomyx, Inc. (US) 2016-10-26 EP disclosed