SCHEMBL29639720

SCHEMBL29639720

COc1cc(CO)ccc1OC=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.48
TTR P02766 1/20 0.48
POLB P06746 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 3/20 0.46
LDHA P00338 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
HTT P42858 2/20 0.46
ACHE P22303 1/20 0.46
ERN1 O75460 1/20 0.46
PTGS1 P23219 1/20 0.44
ATM Q13315 1/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL19789577 1.00 CA2 (0.48) CA2TTRPOLBNPC1RAB9A
SCHEMBL20734996 0.84 CA2 (0.50) CA2POLBKDM4EALDH1A1LDHA
SCHEMBL28170408 0.83 CA2 (0.68) CA2POLBNPC1RAB9AKDM4E
SCHEMBL29997296 0.83 CA2 (0.68) CA2POLBNPC1RAB9AKDM4E
SCHEMBL119395 0.83 CA2 (0.68) CA2POLBNPC1RAB9AKDM4E
SCHEMBL23458348 0.83 CA2 (0.48) CA2POLBKDM4EALDH1A1LDHA
SCHEMBL29640498 0.83 CA2 (0.48) CA2POLBKDM4EALDH1A1LDHA
SCHEMBL24273666 0.81 CA2 (0.47) CA2TTRPOLBNPC1RAB9A
SCHEMBL2818747 0.81 ATM (0.50) CA2POLBNPC1RAB9AKDM4E
Methane SCHEMBL7067208 0.81 CA2 (0.65) CA2POLBNPC1RAB9AKDM4E

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-114502704-A Enol ether pro-fragrances 弗门尼舍有限公司 2022-05-13 CN disclosed