SCHEMBL8000487

SCHEMBL8000487

COC(=O)Nc1ccc(CCO)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
CYP4A11 Q02928 6/20 0.58
CYP4F2 P78329 5/20 0.58
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.50
HRH3 Q9Y5N1 1/20 0.46
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 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
SCHEMBL8867193 0.85 SMN1; SMN2 (0.58) SMN1; SMN2MAPTRAB9ANPC1HPGD
SCHEMBL11661313 0.85 MAPT (0.59) SMN1; SMN2MAPTRAB9ANPC1HPGD
SCHEMBL1903659 0.84 CYP4F2 (0.58) SMN1; SMN2CYP4A11CYP4F2MAPTRAB9A
SCHEMBL14614457 0.84 SMN1; SMN2 (0.56) SMN1; SMN2MAPTRAB9ANPC1HPGD
SCHEMBL8867553 0.83 CYP4F2 (0.59) SMN1; SMN2CYP4A11CYP4F2MAPTRAB9A
SCHEMBL2244813 0.83 CYP17A1 (0.58) CYP4A11CYP4F2
SCHEMBL1022686 0.82 SMN1; SMN2 (0.64) SMN1; SMN2MAPTRAB9ANPC1HPGD
SCHEMBL12582054 0.82 SMN1; SMN2 (0.55) SMN1; SMN2MAPTRAB9ANPC1HPGD
SCHEMBL2088667 0.82 POLB (0.64) SMN1; SMN2MAPTRAB9ANPC1HPGD
SCHEMBL8867136 0.82 SMN1; SMN2 (0.61) SMN1; SMN2CYP4A11CYP4F2MAPTRAB9A

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
CN-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 CN disclosed
US-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed
EP-0991632-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES Astra Aktiebolag (SE) 2000-04-12 EP disclosed
WO-1998057941-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1998-12-23 WO disclosed
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed