SCHEMBL26129115

SCHEMBL26129115

COC(=O)C1(NC(=O)OC(C)(C)C)CCc2ccc(Oc3ccc4c(c3)CCCC4)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.46
CXCR5 P32302 1/20 0.40
PPIA P62937 2/20 0.36
PPARG P37231 3/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
SCN9A Q15858 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
SLC8A1 P32418 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL31232508 1.00 GHSR (0.46) GHSRCXCR5PPIAPPARGPPARD
SCHEMBL26131390 0.89 GHSR (0.46) GHSRCXCR5PPIASMN1; SMN2SLC8A1
SCHEMBL31232655 0.89 GHSR (0.46) GHSRCXCR5PPIASMN1; SMN2SLC8A1
SCHEMBL26130271 0.88 GHSR (0.41) GHSRCXCR5PPIASMN1; SMN2NPC1
SCHEMBL26131738 0.88 GHSR (0.45) GHSRCXCR5PPIASMN1; SMN2SLC8A1
SCHEMBL31232474 0.88 GHSR (0.45) GHSRCXCR5PPIASMN1; SMN2SLC8A1
SCHEMBL26404186 0.88 GHSR (0.45) GHSRCXCR5PPIASCN9ASLC8A1
SCHEMBL26131037 0.87 GHSR (0.41) GHSRCXCR5PPIATSHRSMN1; SMN2
SCHEMBL31232645 0.87 GHSR (0.46) GHSRCXCR5PPIASMN1; SMN2BACE1
SCHEMBL26130898 0.87 GHSR (0.46) GHSRCXCR5PPIASMN1; SMN2BACE1

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-2023190878-A1 TETRAHYDRONAPHTHALENE DERIVATIVE Atransen Pharma株式会社 2023-10-05 WO disclosed
WO-2023190878-A1 TETRAHYDRONAPHTHALENE DERIVATIVE Atransen Pharma株式会社 2023-10-05 WO disclosed