SCHEMBL29952075

SCHEMBL29952075

CC(=O)c1cccc(NC(=O)C2CC2C(=O)O)c1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.77
PARP10 Q53GL7 1/20 0.77
APEX1 P27695 1/20 0.60
ALDH1A1 P00352 6/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
CREBBP Q92793 1/20 0.51
EPHX2 P34913 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7822572 0.86 ALDH1A1 (0.71) PARP1PARP10APEX1ALDH1A1TDP1
SCHEMBL15331088 0.83 SMN1; SMN2 (0.55) PARP1PARP10ALDH1A1MEN1KMT2A
SCHEMBL15866806 0.80 ALDH1A1 (0.53) PARP1PARP10APEX1ALDH1A1MEN1
SCHEMBL5816312 0.78 ALDH1A1 (0.85) ALDH1A1MEN1KMT2ALMNATDP1
SCHEMBL15709837 0.78 ALDH1A1 (0.83) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL15866803 0.78 ALDH1A1 (0.54) PARP1PARP10APEX1ALDH1A1MEN1
SCHEMBL20559746 0.77 PARP1 (0.61) PARP1PARP10ALDH1A1MEN1KMT2A
SCHEMBL20559230 0.77 PARP1 (0.61) PARP1PARP10ALDH1A1MEN1KMT2A
SCHEMBL13927086 0.77 PARP1 (0.61) PARP1PARP10APEX1ALDH1A1MEN1
SCHEMBL13927083 0.77 PARP1 (0.61) PARP1PARP10APEX1ALDH1A1MEN1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed