SCHEMBL10779288

SCHEMBL10779288

CC=CCNC(C)CCC1(O)c2ccccc2-c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDK2 Q15119 5/20 0.33
APEX1 P27695 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL10779282 1.00 RAB9A (0.35) RAB9AKDM4EALDH1A1PDK2APEX1
SCHEMBL11092218 0.78 KDM4E (0.35) RAB9AKDM4EALDH1A1PDK2APEX1
SCHEMBL11092216 0.78 KDM4E (0.35) RAB9AKDM4EALDH1A1PDK2APEX1
SCHEMBL10778233 0.77 ALDH1A1 (0.36) RAB9AKDM4EALDH1A1PDK2CYP1A2
SCHEMBL10778179 0.77 RAB9A (0.40) RAB9AKDM4EALDH1A1PDK2APEX1
SCHEMBL10774863 0.70 RAB9A (0.39) RAB9AKDM4EALDH1A1PDK2APEX1
SCHEMBL10778069 0.69 POLB (0.34) KDM4EALDH1A1KMT2APOLB
SCHEMBL10778064 0.69 POLB (0.34) KDM4EALDH1A1KMT2APOLB
SCHEMBL11089084 0.68 KDM4E (0.41) RAB9AKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL15691586 0.68 PDK2 (0.50) RAB9AKDM4EALDH1A1PDK2APEX1

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
US-4658061-A ANTIARRHYTHMIC AGENTS ELI LILLY AND COMPANY (US) 1987-04-14 US disclosed