SCHEMBL21281204

SCHEMBL21281204

Cc1nc2cccc(OCC(NCC(=O)c3ccc4c(c3)OCCO4)C(C)C)c2c(N)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 7/20 0.36
▸ WNT3A P56704 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ PKM P14618 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL620831 0.89 NPC1 (0.41) RAB9ANPC1PKMMAPTKDM4E
SCHEMBL620832 0.89 NPC1 (0.41) RAB9ANPC1PKMMAPTKDM4E
SCHEMBL620401 0.84 NPC1 (0.42) RAB9ANPC1PKMMAPTKDM4E
SCHEMBL619807 0.84 NPC1 (0.42) RAB9ANPC1PKMMAPTKDM4E
SCHEMBL21149029 0.83 NPC1 (0.43) RAB9ANPC1PKMMAPTKDM4E
SCHEMBL621071 0.83 SMN1; SMN2 (0.51) RAB9ANPC1PKMALDH1A1MAPT
SCHEMBL618378 0.83 SMN1; SMN2 (0.51) RAB9ANPC1PKMALDH1A1MAPT
SCHEMBL31670281 0.81 RAB9A (0.44) RAB9ANPC1PKMALDH1A1MAPT
SCHEMBL27105638 0.80 CTNNB1 (0.37) CTNNB1WNT3ARAB9ANPC1PKM
SCHEMBL15605528 0.80 TAS1R3 (0.47) RAB9ANPC1PKMALDH1A1MAPT

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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