SCHEMBL8378141

SCHEMBL8378141

CCN(CC)c1cc(N)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
GAA P10253 4/20 0.50
CYP3A4 P08684 3/20 0.50
ESR2 Q92731 1/20 0.50
PTPN1 P18031 1/20 0.50
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RECQL P46063 3/20 0.46
THRB P10828 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL9221117 0.86 TP53 (0.59) ALDH1A1MAPTKDM4EGAACYP3A4
SCHEMBL28174299 0.86 MAPT (0.41) ALDH1A1MAPTKDM4EGAACYP3A4
SCHEMBL3418853 0.81 MAOA (0.50) ALDH1A1MAPTKDM4EGAACYP3A4
SCHEMBL11235298 0.80 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EGAACYP3A4
Hydrochloric Acid SCHEMBL2876219 0.80 MAOA (0.49) ALDH1A1MAPTGAACYP3A4MEN1
SCHEMBL11528407 0.79 TP53 (0.48) ALDH1A1MAPTKDM4ETP53HTT
SCHEMBL2810702 0.77 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EGAACYP3A4
SCHEMBL2810699 0.77 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EGAACYP3A4
SCHEMBL7476029 0.77 TP53 (0.46) ALDH1A1KDM4ETP53HTTMEN1
SCHEMBL27930270 0.76 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EGAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874608-A Process for the preparation of esters of aromatic carboxylic acid HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed
EP-0431387-B1 Basic polysaccharides WOLFF WALSRODE AG (DE) 1995-09-06 EP disclosed
EP-0431387-A1 Basic polysaccharides Wolff Walsrode Aktiengesellschaft (DE) 1991-06-12 EP disclosed