SCHEMBL12515630

SCHEMBL12515630

COc1ccc(C(OCC2CCCO2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SLC6A11 P48066 4/20 0.47
SLC6A1 P30531 2/20 0.47
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 3/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
SLC6A12 P48065 1/20 0.42
SLC6A13 Q9NSD5 1/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL28520814 0.89 HPGD (0.42) HPGDSMN1; SMN2LMNACYP1A2HTT
SCHEMBL11302489 0.89 HPGD (0.42) HPGDSMN1; SMN2LMNACYP1A2HTT
SCHEMBL27056605 0.85 MEN1 (0.57) HPGDSLC6A11SLC6A1KMT2AALDH1A1
SCHEMBL2567526 0.85 MEN1 (0.57) HPGDSLC6A11SLC6A1KMT2AALDH1A1
SCHEMBL2567523 0.85 MEN1 (0.57) HPGDSLC6A11SLC6A1KMT2AALDH1A1
SCHEMBL9223044 0.85 MGLL (0.45)
SCHEMBL9692839 0.83 SLC6A11 (0.47) HPGDSMN1; SMN2L3MBTL1SLC6A11SLC6A1
Hydrochloric Acid SCHEMBL9221696 0.82 MGLL (0.43)
SCHEMBL31259093 0.82 KIF11 (0.43) SLC6A1KMT2AMEN1TDP1
SCHEMBL22879134 0.80 MEN1 (0.43) SLC6A11SLC6A1KMT2ALMNAMEN1

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
WO-2019185477-A1 CYCLIC DINUCLEOTIDE COMPOUNDS CONTAINING 2-AZA-HYPOXANTHINE OR 6H-PYTAZOLO[1,5-D][1,2,4]TRIAZIN-7-ONE AS STING AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-03 WO disclosed
WO-2011084345-A1 A METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed