SCHEMBL8898063

SCHEMBL8898063

C/C=C/CCCC(CC)c1c(CC)ccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 2/20 0.32
GAA P10253 4/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 5/20 0.31
NPSR1 Q6W5P4 4/20 0.31
KDM4E B2RXH2 3/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
TSHR P16473 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
SCHEMBL8898141 0.92 MEN1 (0.33) MEN1KMT2AATMGAATDP1
SCHEMBL8898413 0.82 KDM4E (0.39) MEN1KMT2AATMGAATDP1
SCHEMBL8896377 0.82 LMNA (0.33) MEN1KMT2AATMGAATDP1
SCHEMBL8895627 0.82 ATM (0.33) MEN1KMT2AATM
SCHEMBL8898069 0.80 NCEH1 (0.33)
SCHEMBL8898745 0.77 GLA (0.31) MEN1KMT2AALDH1A1NPSR1KDM4E
SCHEMBL8897692 0.72 PARP1 (0.33) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL5457450 0.72 NCEH1 (0.46) MEN1KMT2AATMGAATDP1
SCHEMBL5853744 0.71 LMNA (0.37) ALDH1A1LMNATSHR
SCHEMBL5853738 0.71 LMNA (0.37) ALDH1A1LMNATSHR

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-5703091-A N-substituted azabicycloalkane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed