SCHEMBL24200318

SCHEMBL24200318

CCCOc1cc(OC)ccc1CC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
MAPT P10636 2/20 0.45
ALDH1A1 P00352 4/20 0.43
PPARG P37231 1/20 0.43
PTPN1 P18031 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DPP4 P27487 2/20 0.43
TBXAS1 P24557 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL23228992 0.90 MTNR1A (0.49) MTNR1AMTNR1BMAPTALDH1A1PPARG
SCHEMBL21455751 0.87 ALDH1A1 (0.53) MAPTALDH1A1PPARGPOLBTDP1
SCHEMBL30482840 0.87 ALDH1A1 (0.53) MAPTALDH1A1PPARGPOLBTDP1
SCHEMBL23229241 0.85 HSD17B10 (0.59) MTNR1AMTNR1BPOLBCNR1CNR2
SCHEMBL21455279 0.83 ALDH1A1 (0.44) MAPTALDH1A1PPARGPOLBTDP1
SCHEMBL31053251 0.82 HPGD (0.45) MAPTALDH1A1POLBTDP1DPP4
SCHEMBL23617308 0.82 DPP4 (0.48) MAPTALDH1A1POLBTDP1DPP4
SCHEMBL24200347 0.80 ALDH1A1 (0.42) MTNR1AMTNR1BMAPTALDH1A1PPARG
SCHEMBL12093646 0.80 PPARG (0.48) MAPTALDH1A1PPARGL3MBTL1LMNA
SCHEMBL23656671 0.79 ALDH1A1 (0.41) MAPTALDH1A1PPARGPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 EP disclosed