SCHEMBL31670294

SCHEMBL31670294

CCOC(=O)c1c(C)nc2cccc(OC[C@H](C)NC(=O)c3ccc4c(c3)OCCO4)c2c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.45
▸ NPC1 O15118 6/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ MAPT P10636 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ KLF5 Q13887 1/20 0.41
▸ PKM P14618 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TAS1R3 Q7RTX0 3/20 0.40
▸ TAS1R1 Q7RTX1 3/20 0.40
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL31670281 0.92 RAB9A (0.44) RAB9ANPC1HSP90AA1MAPTALDH1A1
SCHEMBL31670296 0.92 SMN1; SMN2 (0.49) RAB9ANPC1HSP90AA1MAPTALDH1A1
SCHEMBL619807 0.91 NPC1 (0.42) RAB9ANPC1HSP90AA1MAPTKDM4E
SCHEMBL620401 0.91 NPC1 (0.42) RAB9ANPC1HSP90AA1MAPTKDM4E
SCHEMBL15605528 0.87 TAS1R3 (0.47) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL31670277 0.86 CTNNB1 (0.35) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL31670288 0.86 GABRP (0.38) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL28451374 0.86 GABRP (0.38) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL31670286 0.86 GABRP (0.38) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL619158 0.85 RAB9A (0.43) RAB9ANPC1HSP90AA1MAPTALDH1A1

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-2603098-B1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER FIRMENICH INCORPORATED (US) 2025-08-06 — — EP disclosed
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