SCHEMBL3686840

SCHEMBL3686840

CC(C)(C)N(C(=O)O)N1CCC=C(CNCc2ccc3c(c2)OCCO3)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
FAAH O00519 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
FTO Q9C0B1 1/20 0.38
HDAC1 Q13547 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5653634 0.79 KMT2A (0.43) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL13145848 0.78 KEAP1 (0.41) KMT2AMEN1LMNAALDH1A1ALKBH5
SCHEMBL3689303 0.77 KDM4E (0.49) KMT2AMEN1ALDH1A1KDM4EFAAH
SCHEMBL5651392 0.77 SMN1; SMN2 (0.39) KMT2AMEN1ALDH1A1KDM4EALKBH5
SCHEMBL3697550 0.74 KDM4E (0.44) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL3693644 0.72 CHRNB2 (0.31)
SCHEMBL6216801 0.71 KMT2A (0.41) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL3684865 0.70
SCHEMBL9120468 0.69 KDM4E (0.56) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL5651335 0.69 ALKBH5 (0.48) KMT2AMEN1TSHRALDH1A1KDM4E

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
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed