SCHEMBL21281197

SCHEMBL21281197

Cc1nc2cccc(OCCNC(=O)c3ccc4c(c3)OCCO4)c2c(N)c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.58
▸ NPC1 O15118 9/20 0.58
▸ MCHR1 Q99705 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TP53 P04637 2/20 0.47
▸ KLF5 Q13887 2/20 0.45
▸ PKM P14618 2/20 0.43
▸ HPGD P15428 4/20 0.43
▸ HSF1 Q00613 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ HTT P42858 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
SCHEMBL21149029 0.86 NPC1 (0.43) RAB9ANPC1SMN1; SMN2TP53KLF5
SCHEMBL627044 0.85 NPC1 (0.42) RAB9ANPC1SMN1; SMN2TP53KLF5
SCHEMBL619807 0.85 NPC1 (0.42) RAB9ANPC1SMN1; SMN2TP53KLF5
SCHEMBL620401 0.85 NPC1 (0.42) RAB9ANPC1SMN1; SMN2TP53KLF5
SCHEMBL21281399 0.85 MTNR1A (0.48) RAB9ANPC1MCHR1SMN1; SMN2TP53
SCHEMBL21281165 0.84 MCHR1 (0.44) RAB9ANPC1MCHR1SMN1; SMN2KDM4E
SCHEMBL618378 0.84 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2TP53KLF5
SCHEMBL620832 0.84 NPC1 (0.41) RAB9ANPC1SMN1; SMN2TP53KLF5
SCHEMBL621071 0.84 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2TP53KLF5
SCHEMBL620831 0.84 NPC1 (0.41) RAB9ANPC1SMN1; SMN2TP53KLF5

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-2552207-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2019-08-21 — — EP disclosed
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