SCHEMBL6664851

SCHEMBL6664851

O=c1ccc2cc3c(cc2o1)OCC(CO)O3

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.63
▸ KDM4E B2RXH2 8/20 0.63
▸ HPGD P15428 8/20 0.63
▸ HSD17B10 Q99714 5/20 0.63
▸ ACHE P22303 4/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ADRB2 P07550 1/20 0.46
▸ ADRB1 P08588 1/20 0.46
▸ ADRB3 P13945 1/20 0.46
▸ GAA P10253 6/20 0.45
▸ LMNA P02545 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CA12 O43570 6/20 0.44
▸ CA9 Q16790 6/20 0.44
▸ MCL1 Q07820 3/20 0.44
▸ GLA P06280 2/20 0.44
▸ AKR1B1 P15121 2/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ ERAP1 Q9NZ08 2/20 0.44

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
SCHEMBL6664850 1.00 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10ACHE
SCHEMBL12075314 0.80 KDM4E (0.65) ALDH1A1KDM4EHPGDHSD17B10ACHE
Obliquin SCHEMBL2255488 0.77 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10ACHE
Obliquin SCHEMBL29534204 0.77 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10ACHE
Obliquin SCHEMBL12062102 0.77 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10ACHE
Dihydro-Obliquin SCHEMBL12062091 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10ACHE
SCHEMBL6843275 0.75 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10ACHE
Ayapin SCHEMBL30171405 0.75 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10ACHE
Ayapin SCHEMBL6694210 0.75 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10ACHE
SCHEMBL1044700 0.71 CA2 (0.38) HPGDCA2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800768-B1 STABLE PHOTOACTIVE COUMARIN COMPOUNDS THAT CAN BE USED AS PHOTO-CROSSLINKING REAGENTS IN NUCLEIC ACID HYBRIDIZATION ASSAYS AND THERAPEUTIC APPLICATIONS NAXCOR, INC. 2004-10-05 — — US disclosed
WO-2004022703-A2 NON-NUCLEOSIDIC COUMARIN DERIVATIVES AS POLYNUCLEOTIDE-CROSSLINKING AGENTS NAXCOR, INC. (US) 2004-03-18 — — WO disclosed
US-6005093-A CONMPOUNDS USED AS REPLACEMENTS FOR ONE OR MORE COMPLEMENTARY NUCLEOSIDE BASES IN PROBES; ENABLE PHOTOACTIVE CROSSLINKING OF NUCLEIC ACID STRANDS IN HYBRIDIZATION ASSAYS AND THERAPEUTIC APPLICATIONS NAXCOR (US) 1999-12-21 — — US disclosed
EP-0827501-A4 NON-NUCLEOSIDIC COUMARIN DERIVATIVES AS POLYNUCLEOTIDE-CROSS-LINKING AGENTS NAXCOR (US) 1998-06-10 — — EP disclosed
EP-0827501-A1 NON-NUCLEOSIDIC COUMARIN DERIVATIVES AS POLYNUCLEOTIDE-CROSS-LINKING AGENTS NAXCOR (US) 1998-03-11 — — EP disclosed
WO-1996028438-A1 NON-NUCLEOSIDIC COUMARIN DERIVATIVES AS POLYNUCLEOTIDE-CROSS-LINKING AGENTS NAXCOR (US) 1996-09-19 — — WO disclosed
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