SCHEMBL11617138

SCHEMBL11617138

CCOC(=O)C(C(=O)OCC)=C(CC)Nc1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 5/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
EPHX2 P34913 2/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.46
THRB P10828 1/20 0.46
RAB9A P51151 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL11617140 0.94 KMT2A (0.49) KMT2AKDM4EPOLBMAPK1ALDH1A1
SCHEMBL11616199 0.90 ALDH1A1 (0.54) KMT2AKDM4EPOLBMAPK1ALDH1A1
SCHEMBL11619781 0.89 ALDH1A1 (0.53) KMT2AKDM4EPOLBMAPK1ALDH1A1
SCHEMBL11615957 0.88 POLB (0.50) KMT2AKDM4EPOLBMAPK1ALDH1A1
SCHEMBL11618944 0.88 ALDH1A1 (0.54) KMT2AKDM4EPOLBMAPK1ALDH1A1
SCHEMBL11375069 0.84 KMT2A (0.52) KMT2AKDM4EPOLBMAPK1ALDH1A1
SCHEMBL11616203 0.84 ALDH1A1 (0.51) KMT2AKDM4EPOLBMAPK1ALDH1A1
SCHEMBL20827130 0.83 GPR35 (0.60) KMT2AKDM4EPOLBMAPK1ALDH1A1
SCHEMBL8780440 0.83 ALDH1A1 (0.50) KMT2AKDM4EPOLBMAPK1ALDH1A1
SCHEMBL11616923 0.82 HPGD (0.51) KMT2AKDM4EPOLBMAPK1ALDH1A1

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-4107310-A ANALGESICS ROUSSEL UCLAF (FR) 1978-08-15 US disclosed