SCHEMBL7058293

SCHEMBL7058293

CCCCCCC[C@@H](Cc1cccc2ccccc12)NC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
IDE P14735 1/20 0.39
UBE2N P61088 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CTNNB1 P35222 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR2 P34972 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
SCHEMBL11692045 0.85 SIGMAR1 (0.42) KMT2AKDM4EL3MBTL1NR3C1PGR
SCHEMBL11693282 0.83 SIGMAR1 (0.43) KMT2AKDM4EL3MBTL1NR3C1PGR
SCHEMBL28900394 0.82 KDM4E (0.44) KMT2AKDM4EL3MBTL1SIGMAR1HDAC1
SCHEMBL31332073 0.82 NR3C1 (0.54) KMT2ANR3C1PGRNR3C2SIGMAR1
SCHEMBL16174128 0.82 NR3C1 (0.54) KMT2ANR3C1PGRNR3C2SIGMAR1
SCHEMBL9859804 0.81 KDM4E (0.46) KMT2AKDM4EL3MBTL1SIGMAR1CTNNB1
SCHEMBL2827348 0.80 SIGMAR1 (0.46) KMT2AKDM4EL3MBTL1NR3C1PGR
SCHEMBL9493810 0.79 KDM4E (0.45) KMT2AKDM4EL3MBTL1SIGMAR1CTNNB1
SCHEMBL6617420 0.79 KDM4E (0.45) KMT2AKDM4EL3MBTL1SIGMAR1CTNNB1
SCHEMBL9844481 0.79 KDM4E (0.45) KMT2AKDM4EL3MBTL1SIGMAR1CTNNB1

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-6673801-B1 TREATING MULTIPLE SCLEROSIS OR RHEUMATOID ARTHRITIS PFIZER INC. 2004-01-06 US disclosed