SCHEMBL6328346

SCHEMBL6328346

CCCN(CCC)Cc1cccc(C(=O)CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTPN1 P18031 1/20 0.46
MEP1B Q16820 8/20 0.44
MEP1A Q16819 1/20 0.43
BCHE P06276 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
PPARG P37231 1/20 0.41
RORC P51449 1/20 0.41
GRIN2D O15399 1/20 0.40

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
SCHEMBL1456846 0.84 MEP1B (0.60) TSHRHSD17B10PTPN1MEP1BMEP1A
SCHEMBL6651857 0.82 TSHR (0.61) TSHRHSD17B10MEP1BMEP1ACYP1A2
Hydrochloric Acid SCHEMBL9837391 0.82 TSHR (0.47) TSHRHSD17B10PTPN1MEP1BMEP1A
SCHEMBL27379923 0.81 KMT2A (0.46) TSHRPTPN1MEP1BMEP1APPARG
SCHEMBL1638524 0.81 LOXL2 (0.59) TSHRHSD17B10MEP1BMEP1A
SCHEMBL6322584 0.79 TSHR (0.48) TSHRHSD17B10PTPN1MEP1BMEP1A
SCHEMBL3350068 0.79 CYP4F2 (0.59) TSHRHSD17B10MEP1BCYP1A2CYP2D6
SCHEMBL3895302 0.79 CYP4F2 (0.50) PPARG
SCHEMBL924897 0.79 CYP4F2 (0.49)
SCHEMBL611239 0.78 TSHR (0.49) TSHRHSD17B10PTPN1MEP1BMEP1A

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
US-6855711-B1 Pharmaceutical compositions comprising iron chelators for the treatment of neurodegenerative disorders and some novel iron chelators YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-02-15 US claimed
US-6855711-B1 Pharmaceutical compositions comprising iron chelators for the treatment of neurodegenerative disorders and some novel iron chelators YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-02-15 US disclosed