SCHEMBL7874508

SCHEMBL7874508

COc1ccc(C(c2ccccc2)c2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
ALDH1A1 P00352 3/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.55
FFAR1 O14842 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.52
PTPN7 P35236 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
PTPN12 Q05209 1/20 0.51
ACP3 P15309 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 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
SCHEMBL656832 0.85 LMNA (0.67) ALOX15ALDH1A1TSHRLMNAFFAR1
SCHEMBL9323967 0.84 ALDH1A1 (0.59) ALOX15ALDH1A1TSHRLMNAFFAR1
SCHEMBL7874489 0.84 GAA (0.62) ALDH1A1TSHRFFAR1PTGDR2MEN1
SCHEMBL27906819 0.83 LMNA (0.65) ALOX15ALDH1A1TSHRLMNAFFAR1
Hydrochloric Acid SCHEMBL3246059 0.83 LMNA (0.65) ALOX15ALDH1A1TSHRLMNAFFAR1
SCHEMBL2181589 0.82 FFAR1 (0.58) ALOX15ALDH1A1TSHRFFAR1PTGDR2
SCHEMBL13295537 0.81 SLC2A1 (0.61) ALDH1A1TSHRMAPTACP3NPSR1
SCHEMBL34971 0.81 SLC2A1 (0.61) ALDH1A1TSHRMAPTACP3NPSR1
SCHEMBL13295540 0.81 SLC2A1 (0.61) ALDH1A1TSHRMAPTACP3NPSR1
SCHEMBL40557 0.81 SLC2A1 (0.61) ALDH1A1TSHRMAPTACP3NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316595-B1 PNA synthesis using a base-labile amino protecting group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-13 US disclosed
US-6121418-A PNA synthesis using a base-labile amino protecting group HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed
EP-0672701-B1 PNA-synthesis using a base labile aminoprotecting group HOECHST AG (DE) 1999-07-28 EP disclosed
US-5601992-A DETECTING INTERACTION BETWEEN PEPTIDE AND TARGET BY PLACING TARGET INTO CONTAINER, OVERLAYING WITH SUBSTRATE, APPLYING BEADS TO SUBSTRATE, EACH BEAD HAVING ASSOCIATED THEREWITH COPIES OF A SINGLE PEPTIDE, ALLOWING DIFFUSION, REACTION BUNSEN RUSH LABORATORIES, INC. (US) 1997-02-11 US disclosed
EP-0672701-A1 PNA-synthesis using a base labile aminoprotecting group HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed