SCHEMBL11746409

SCHEMBL11746409

CCN(CC)CC.CN(C)CCc1cc(CCN(C)C)c(O)c(CCN(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.40
TAAR1 Q96RJ0 6/20 0.38
HRH3 Q9Y5N1 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
APEX1 P27695 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL374864 0.91 MDM2 (0.45) MDM2TAAR1HRH3CYP2C9ALOX15
SCHEMBL5983101 0.87 HTR1D (0.44) HRH3KDM4EMEN1ALDH1A1POLB
SCHEMBL8933366 0.82 NPC1 (0.43) MDM2TAAR1HRH3MAPK1HTT
SCHEMBL9237037 0.81 HTR2A (0.46) CYP2C9ALOX15HSD17B10HTR2AHTR2C
SCHEMBL10557130 0.80 SHBG (0.47) MDM2TAAR1HRH3CYP2C9ALOX15
SCHEMBL3974662 0.78 DRD3 (0.35) HRH3KDM4EMEN1ALDH1A1POLB
SCHEMBL11060318 0.76 KCNH2 (0.47) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL6066009 0.76 SLC6A4 (0.44) MDM2HRH3CYP2C9ALOX15HSD17B10
SCHEMBL10633892 0.74 SIGMAR1 (0.48) HRH3ALDH1A1CYP2C9ALOX15HSD17B10
SCHEMBL14279410 0.71 HSD17B10 (0.58) KDM4EMEN1ALDH1A1POLBMAPT

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-4042550-A Encapsulant compositions based on anhydride-hardened epoxy resins ALLIED CHEMICAL CORPORATION (US) 1977-08-16 US disclosed