SCHEMBL9495034

SCHEMBL9495034

CC(OC(N)=O)C(C)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
PARP10 Q53GL7 2/20 0.42
ALOX5 P09917 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL4652037 0.83 POLB (0.45) POLBMTNR1AMTNR1BGAACYP1A2
SCHEMBL28556902 0.82 PARP10 (0.43) POLBGAACYP1A2CYP2C9PKM
SCHEMBL17901061 0.82 MTNR1A (0.41) POLBMTNR1AMTNR1BGAACYP1A2
SCHEMBL17900984 0.82 MTNR1A (0.41) POLBMTNR1AMTNR1BGAACYP1A2
SCHEMBL17905431 0.82 MTNR1A (0.41) POLBMTNR1AMTNR1BGAACYP1A2
Carbamic Acid SCHEMBL28253801 0.81 POLB (0.44) POLBMTNR1AMTNR1BGAACYP1A2
SCHEMBL19726533 0.81 ELANE (0.45) POLBMTNR1AMTNR1BGAACYP1A2
SCHEMBL1453272 0.79 CA4 (0.48) POLBMTNR1AMTNR1BGAACYP1A2
SCHEMBL21976920 0.79 MTNR1A (0.45) MTNR1AMTNR1BGAACYP1A2CYP2C9
Propane SCHEMBL28029159 0.79 MTNR1A (0.45) POLBMTNR1AMTNR1BGAACYP1A2

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
US-5179223-A Reacting primary amine, urea and oxime UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-01-12 US disclosed