SCHEMBL28451725

SCHEMBL28451725

Cc1nc2cccc(OCCCNC(=O)C3CCCCC3)c2c(N)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.50
▸ TP53 P04637 6/20 0.47
▸ MAPT P10636 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL10258937 0.97 KMT2A (0.53) KMT2ATP53MAPTSMN1; SMN2NPC1
SCHEMBL28448945 0.90 KMT2A (0.48) KMT2ATP53MAPTSMN1; SMN2NPC1
SCHEMBL15605486 0.84 SMYD3 (0.39) KMT2ATP53MAPTSMN1; SMN2NPC1
SCHEMBL19901686 0.84 CCR5 (0.36) KMT2ATP53MAPTNPC1RAB9A
SCHEMBL621093 0.83 SSTR4 (0.40) KMT2ANPC1RAB9AMEN1
SCHEMBL619950 0.83 ALDH1A1 (0.39) TP53MAPTNPC1RAB9AALDH1A1
SCHEMBL620207 0.83 ALDH1A1 (0.39) TP53MAPTNPC1RAB9AALDH1A1
SCHEMBL619949 0.83 ALDH1A1 (0.39) TP53MAPTNPC1RAB9AALDH1A1
SCHEMBL14704958 0.82 DCPS (0.41) —
SCHEMBL14705037 0.82 DCPS (0.41) —

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
CN-106107406-B Methods of improving the stability of sweetness enhancers and compositions comprising stable sweetness enhancers 弗门尼舍公司 2020-06-09 — — CN disclosed
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