SCHEMBL9734580

SCHEMBL9734580

Cc1cc(CN2CCCN(Cc3cc(C)c(O)c(C4CCCCC4)c3)C2)cc(C2CCCCC2)c1O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NUDT1 P36639 1/20 0.36
BACE1 P56817 1/20 0.36
MAPT P10636 1/20 0.35
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
BRD4 O60885 1/20 0.35
MPO P05164 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9734929 0.82 KDM4E (0.51) GAAKDM4EALDH1A1TDP1LMNA
SCHEMBL10565334 0.81 PDE5A (0.39) GAAKDM4ETDP1LMNAMEN1
SCHEMBL10564840 0.80 PDE5A (0.38) GAAKDM4ETDP1LMNAMEN1
SCHEMBL10566223 0.80 PDE5A (0.38) GAAKDM4ETDP1LMNAMEN1
SCHEMBL8772352 0.79 SHBG (0.44) KDM4EMEN1KMT2ANUDT1BACE1
SCHEMBL9182898 0.77 NUDT1 (0.44) KDM4EMEN1KMT2ANUDT1BACE1
SCHEMBL27861753 0.77 NUDT1 (0.48) KDM4ETDP1LMNAMEN1KMT2A
SCHEMBL10563172 0.77 PDE5A (0.38) GAAKDM4ETDP1LMNAMEN1
SCHEMBL10566115 0.77 PDE5A (0.38) GAAKDM4ETDP1LMNAMEN1
SCHEMBL9186132 0.76 NUDT1 (0.43) KDM4EMEN1KMT2ANUDT1BACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106975-A Hexahydropyrimidine derivatives ETHYL PETROLEUM ADDITIVES, INC. (US) 1992-04-21 US disclosed
EP-0434185-A2 Hexahydropyrimidine derivatives ETHYL PETROLEUM ADDITIVES, INC. (US) 1991-06-26 EP disclosed