SCHEMBL29953432

SCHEMBL29953432

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
EPHX2 P34913 2/20 0.59
GAA P10253 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
EPHX1 P07099 1/20 0.55
HTT P42858 3/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TSHR P16473 2/20 0.53
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CASR P41180 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
CCR3 P51677 1/20 0.52

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
SCHEMBL29956830 0.92 MAPT (0.67) MAPTKMT2AMEN1GAASMN1; SMN2
SCHEMBL14274121 0.88 CASR (0.67) MAPTKMT2AMEN1EPHX2HPGD
SCHEMBL14274120 0.84 CASR (0.65) MAPTKMT2AMEN1EPHX2HPGD
SCHEMBL29957192 0.84 EPHX2 (0.58) MAPTKMT2AMEN1EPHX2GAA
SCHEMBL14274122 0.83 CASR (0.64) MAPTKMT2AMEN1EPHX2HPGD
SCHEMBL25722908 0.82 MAPT (0.75) MAPTKMT2AMEN1GAASMN1; SMN2
SCHEMBL29952966 0.82 KMT2A (0.69) MAPTKMT2AMEN1GAASMN1; SMN2
SCHEMBL30493785 0.82 MAPT (0.62) MAPTKMT2AMEN1GAASMN1; SMN2
SCHEMBL26102574 0.82 MAPT (0.62) MAPTKMT2AMEN1GAASMN1; SMN2
SCHEMBL7828340 0.82 EPHX1 (0.68) KMT2AEPHX2SMN1; SMN2EPHX1HTT

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