SCHEMBL28457357

SCHEMBL28457357

Cc1nc2cccc(OCCCCNC(=O)c3cc(O)cc(O)c3)c2c(N)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 7/20 0.43
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NCF1 P14598 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 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
SCHEMBL21281274 0.94 POLB (0.43) MCHR1POLBKMT2AKDM4EMEN1
SCHEMBL28450962 0.94 MCHR1 (0.47) MCHR1POLBKMT2AKDM4EMEN1
SCHEMBL28451356 0.90 MCHR1 (0.41) MCHR1POLBKMT2AKDM4EMEN1
SCHEMBL21281165 0.88 MCHR1 (0.44) MCHR1POLBKMT2AKDM4EMEN1
SCHEMBL28073755 0.87 MCHR1 (0.35) MCHR1KDM4ENPC1MAPTRAB9A
SCHEMBL28074002 0.85 KDM4E (0.40) KDM4EMAPK1NCF1CYP1A2CYP2D6
SCHEMBL28459705 0.85 ALDH1A1 (0.43) POLBKMT2AKDM4EMEN1NPC1
SCHEMBL28449446 0.84 MCHR1 (0.45) MCHR1KMT2AKDM4EMEN1MAPK1
SCHEMBL21281438 0.83 KMT2A (0.44) MCHR1POLBKMT2AKDM4EMEN1
SCHEMBL28459769 0.83 ALDH1A1 (0.46) POLBKMT2AKDM4EMEN1NPC1

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
Send feedback