SCHEMBL9130415

SCHEMBL9130415

CCNC(=O)Oc1ccc2oc3ccccc3c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
MAPT P10636 3/20 0.57
ALDH1A1 P00352 3/20 0.57
ACHE P22303 2/20 0.52
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PTGER4 P35408 1/20 0.48
MAOA P21397 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
NPC1 O15118 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 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
SCHEMBL9128092 0.87 ALDH1A1 (0.58) LMNAMAPTALDH1A1ACHE
SCHEMBL9129316 0.85 ALDH1A1 (0.56) MAPTALDH1A1ACHE
SCHEMBL9126973 0.85 ALDH1A1 (0.56) MAPTALDH1A1ACHE
SCHEMBL9131367 0.85 LMNA (0.56) LMNAMAPTALDH1A1ACHENPSR1
SCHEMBL9127891 0.80 LMNA (0.49) LMNAMAPTALDH1A1ACHEMTNR1A
SCHEMBL6828889 0.80 LMNA (0.60) LMNAMAPTALDH1A1NPSR1RXFP1
SCHEMBL20322895 0.80 LMNA (0.60) LMNAMAPTALDH1A1NPSR1RXFP1
SCHEMBL9126486 0.79 BCHE (0.53) LMNAACHE
SCHEMBL6240234 0.78 LMNA (0.66) LMNAMAPTALDH1A1NPSR1RXFP1
SCHEMBL23299733 0.77 ALDH1A1 (0.57) LMNAMAPTALDH1A1ACHENPSR1

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
US-5401769-A Anticholesterol AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-28 US claimed
US-5401769-A Anticholesterol AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-28 US disclosed