SCHEMBL29952837

SCHEMBL29952837

CC(=O)c1ccc2[nH]c(C(=O)O)c(C)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 3/20 0.61
THRB P10828 1/20 0.61
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
POLB P06746 1/20 0.57
PKM P14618 1/20 0.57
NPY1R P25929 1/20 0.57
NPY2R P49146 1/20 0.57
KIF11 P52732 2/20 0.56
GFER P55789 2/20 0.47
HCRTR1 O43613 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL7080072 0.90 KDM4E (0.75) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL14211006 0.83 KDM4E (0.75) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL2816058 0.81 ALDH1A1 (0.67) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL8687432 0.80 ALDH1A1 (0.54) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL30366673 0.80 KIF11 (0.74) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL2333579 0.80 KIF11 (0.74) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL31506909 0.80 KIF11 (0.74) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL5962663 0.79 ALDH1A1 (0.60) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL5278061 0.78 RAB9A (0.64) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL5634953 0.78 HTR1D (0.58) KDM4EALDH1A1HPGDKMT2AMEN1

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