SCHEMBL29017673

SCHEMBL29017673

COc1cccc(C2(O)Oc3ccccc3C(O)(O)C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.43
EDNRA P25101 2/20 0.43
HCAR2 Q8TDS4 1/20 0.43
SCN9A Q15858 1/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRND Q07001 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
SCHEMBL28777828 0.85 EDNRA (0.45) EDNRBEDNRASCN9AMAPTKMT2A
SCHEMBL727644 0.80 CFTR (0.40) EDNRBEDNRACYP3A4CYP2C9OPRM1
SCHEMBL28523565 0.77 KMT2A (0.44) EDNRASCN9ACYP3A4CYP2C9OPRM1
SCHEMBL28562134 0.75 EDNRB (0.42) EDNRBEDNRAHCAR2CYP3A4OPRM1
Benzoic Acid SCHEMBL28982995 0.73 GAA (0.43) HCAR2CYP3A4CYP2C9OPRD1MEN1
SCHEMBL27617469 0.71 KMT2A (0.39) EDNRBEDNRACYP3A4CYP2C9KMT2A
SCHEMBL4654217 0.70 DBH (0.35) CYP3A4MAPTMEN1KMT2AKDM4E
Cinnamic Acid SCHEMBL28983011 0.68 HCAR2 (0.47) HCAR2CYP2C9OPRM1OPRL1MAPT
SCHEMBL7315657 0.67 PDK2 (0.51) SCN9AOPRM1OPRD1OPRK1OPRL1
SCHEMBL24280978 0.67 KMT2A (0.59) SCN9AMAPTMEN1KMT2AKDM4E

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-116268354-B Neotame peculiar smell modifier, atomized essence and aerosol generating device 深圳昱朋科技有限公司 2024-03-26 CN disclosed
CN-116268354-A Neotame peculiar smell modifier, atomized essence and aerosol generating device 深圳昱朋科技有限公司 2023-06-23 CN disclosed