SCHEMBL3698211

SCHEMBL3698211

CCOc1cccc2c(CCC3(O)CCC(=O)CC3)ccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.36
LMNA P02545 7/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 3/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2B P29275 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL3698208 0.76 MTNR1A (0.44) LMNAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL3686478 0.74 HTR1A (0.43) LMNAALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL16106670 0.72 KDM4E (0.42) LMNAALDH1A1POLBMAPTKDM4E
SCHEMBL3694763 0.68 HTR1A (0.45) HTR1AADRA1DADRA1AADRA1B
SCHEMBL3691358 0.67 HTR1A (0.45) LMNAALDH1A1POLBMAPTKDM4E
SCHEMBL5239727 0.66 PSMD14 (0.59) LMNAGAAALDH1A1POLBHTT
SCHEMBL24612894 0.65 KDM4E (0.49) GAAALDH1A1POLBHTTMAPT
SCHEMBL11428540 0.65 NR4A2 (0.53) LMNAALDH1A1POLBMAPTKDM4E
SCHEMBL11822168 0.64 KCNA3 (0.51) KCNA3LMNAGAAALDH1A1POLB
SCHEMBL16964453 0.62 HTR1A (0.60) LMNAGAAHTTMAPTSMN1; SMN2

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 3 patents. 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
EP-1551829-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2005-07-13 EP disclosed
WO-2004035569-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2004-04-29 WO disclosed