SCHEMBL13869754

SCHEMBL13869754

CN(Cc1ccccc1)C(=O)COc1ccc(CCO)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.76
▸ NPC1 O15118 5/20 0.76
▸ SMN1; SMN2 Q16637 3/20 0.76
▸ MAPK1 P28482 1/20 0.73
▸ KMT2A Q03164 5/20 0.68
▸ MEN1 O00255 4/20 0.68
▸ ALDH1A1 P00352 4/20 0.59
▸ POLB P06746 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.56
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ TRPM8 Q7Z2W7 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ ALOX5 P09917 1/20 0.51
▸ LTB4R Q15722 1/20 0.51
▸ LTB4R2 Q9NPC1 1/20 0.51

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
SCHEMBL8790130 0.83 RAB9A (0.81) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL8789867 0.79 ALDH1A1 (0.77) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL3963799 0.78 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL3960751 0.78 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL13869757 0.78 MAPK1 (0.60) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL3963795 0.76 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL5034528 0.76 KMT2A (0.53) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL8652025 0.75 ALOX5 (0.76) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL7442885 0.75 KMT2A (0.77) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL13256444 0.75 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPK1KMT2A

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
US-7521461-B2 Benzoic acid derivatives as modulators of PPAR alpha and gamma ASTRAZENECA AB (SE) 2009-04-21 — — US disclosed
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