SCHEMBL11587403

SCHEMBL11587403

CN(c1ccccc1)C(C(=O)O)C(O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
ADAMTS4 O75173 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL14497056 0.89 SLC6A2 (0.39) SLC6A2SLC6A4NPSR1LMNAALDH1A1
SCHEMBL3340749 0.82 ADAMTS4 (0.49) SLC6A2SLC6A4NPSR1LMNAALDH1A1
SCHEMBL3340746 0.82 ADAMTS4 (0.49) SLC6A2SLC6A4NPSR1LMNAALDH1A1
SCHEMBL29173923 0.79 CYP2D6 (0.57) SLC6A2SLC6A4NPSR1LMNAALDH1A1
SCHEMBL3190940 0.78 SLC6A2 (0.58) SLC6A2SLC6A4LMNAMAPK1
SCHEMBL3190947 0.78 SLC6A2 (0.58) SLC6A2SLC6A4LMNAMAPK1
SCHEMBL29173908 0.76 SLC6A2 (0.48) SLC6A2SLC6A4LMNAALDH1A1HTT
SCHEMBL11178102 0.75 NPSR1 (0.44) SLC6A2SLC6A4NPSR1LMNAALDH1A1
SCHEMBL29173911 0.74 SLC6A2 (0.52) SLC6A2SLC6A4ALDH1A1KMT2AMEN1
SCHEMBL15536513 0.74 SLC6A2 (0.41) SLC6A2SLC6A4NPSR1LMNAALDH1A1

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-RE29724-E NYLON, WITH AN ANTHRAQUINONE DYE CONTAINING CYCLIC ANHYDRIDE (FORMING) GROUPS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-08 US disclosed