SCHEMBL7202038

SCHEMBL7202038

CCC(=O)OC(c1cc([N+](=O)[O-])ccc1OC(=O)O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL7202037 1.00 CYSLTR2 (0.40) CYSLTR2CYSLTR1MAPTKMT2ASMN1; SMN2
SCHEMBL25823 0.88 CYSLTR2 (0.41) CYSLTR2CYSLTR1MAPTKMT2ASMN1; SMN2
SCHEMBL25822 0.88 CYSLTR2 (0.41) CYSLTR2CYSLTR1MAPTKMT2ASMN1; SMN2
SCHEMBL7680649 0.87 RECQL (0.43) CYSLTR2CYSLTR1MAPTKMT2ASMN1; SMN2
SCHEMBL27164 0.86 LMNA (0.38) CYSLTR2CYSLTR1MAPTKMT2ASMN1; SMN2
SCHEMBL26588 0.83 MAPT (0.43) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL26589 0.83 MAPT (0.43) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL7200631 0.81 KMT2A (0.41) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL7200623 0.81 KMT2A (0.41) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL25821 0.80 TDP1 (0.42) CYSLTR2CYSLTR1MAPTKMT2ASMN1; SMN2

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-20030158089-A1 Administrative agents via the SMVT transporter XENOPORT, INC. 2003-08-21 US disclosed