SCHEMBL7080072

SCHEMBL7080072

Cc1c(C(=O)O)[nH]c2ccc(C(=O)O)cc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.75
ALDH1A1 P00352 3/20 0.75
HPGD P15428 2/20 0.75
THRB P10828 1/20 0.75
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
POLB P06746 2/20 0.60
PKM P14618 1/20 0.60
NPY1R P25929 1/20 0.60
NPY2R P49146 1/20 0.60
KIF11 P52732 1/20 0.51
TBXAS1 P24557 1/20 0.51
TDP1 Q9NUW8 3/20 0.50
PSMD14 O00487 1/20 0.50
RECQL P46063 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
APEX1 P27695 1/20 0.50
HSD17B10 Q99714 2/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL29952837 0.90 KDM4E (0.61) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL1586810 0.86 KDM4E (1.00) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL2816058 0.84 ALDH1A1 (0.67) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL5962663 0.82 ALDH1A1 (0.60) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL3095750 0.81 RXFP1 (0.68) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL3037898 0.81 MAP2 (0.63) ALDH1A1HPGDTHRBKMT2AMEN1
SCHEMBL2730323 0.81 ALDH1A1 (0.59) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL8315715 0.81 ALDH1A1 (0.59) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL13983383 0.81 ALDH1A1 (0.59) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL30844878 0.81 KDM4E (0.67) KDM4EALDH1A1HPGDTHRBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003057212-A1 POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-07-17 WO disclosed
WO-2002000650-A9 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECH INC (US) 2003-03-06 WO disclosed