SCHEMBL30666147

SCHEMBL30666147

O=C(NCCc1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 1.00
RAB9A P51151 12/20 1.00
KLF5 Q13887 3/20 0.85
PAX8 Q06710 2/20 0.81
PKM P14618 1/20 0.81
KMT2A Q03164 2/20 0.77
TAAR1 Q96RJ0 1/20 0.77
SMN1; SMN2 Q16637 3/20 0.67
TP53 P04637 1/20 0.67
HDAC1 Q13547 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
MEN1 O00255 1/20 0.65
TAS1R3 Q7RTX0 1/20 0.65
TAS1R1 Q7RTX1 1/20 0.65
HPGD P15428 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MAPT P10636 3/20 0.63
LMNA P02545 1/20 0.63
ALDH1A1 P00352 1/20 0.62
ALOX12 P18054 1/20 0.62

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
SCHEMBL17822164 1.00 NPC1 (1.00) NPC1RAB9AKLF5PAX8PKM
SCHEMBL107323 0.89 RAB9A (0.81) NPC1RAB9AKLF5PAX8PKM
SCHEMBL29412429 0.87 RAB9A (0.77) NPC1RAB9AKLF5PAX8PKM
SCHEMBL2408888 0.87 RAB9A (0.77) NPC1RAB9AKLF5PAX8PKM
SCHEMBL702830 0.87 RAB9A (0.77) NPC1RAB9AKLF5PAX8PKM
SCHEMBL11717444 0.86 NPC1 (0.76) NPC1RAB9AKLF5PAX8PKM
SCHEMBL647939 0.86 RAB9A (0.84) NPC1RAB9AKLF5KMT2ASMN1; SMN2
SCHEMBL5039677 0.81 NPC1 (0.68) NPC1RAB9AKLF5PAX8PKM
SCHEMBL12190973 0.81 NPC1 (0.68) NPC1RAB9AKLF5PAX8PKM
SCHEMBL5039674 0.81 NPC1 (0.68) NPC1RAB9AKLF5PAX8PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117137048-A Flavor composition, food comprising the same, and method for increasing the flavor intensity of the umami taste of food 马斯公司 2023-12-01 CN claimed
CN-117137048-A Flavor composition, food comprising the same, and method for increasing the flavor intensity of the umami taste of food 马斯公司 2023-12-01 CN disclosed