SCHEMBL13669342

SCHEMBL13669342

CC[C@@H]1C[C@@H](O)CN1C(=O)CCc1cc2nc3ccc(O)cc3oc-2cc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.40
SNCA P37840 1/20 0.35
CYP1A2 P05177 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALPL P05186 1/20 0.30
POLB P06746 1/20 0.30
ALPI P09923 1/20 0.30
MAPT P10636 1/20 0.30
ALPG P10696 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ESRRB O95718 1/20 0.30
ESR1 P03372 1/20 0.30
ESRRA P11474 1/20 0.30
ESR2 Q92731 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
SCHEMBL13669347 0.88 KMT2A (0.36) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL24767122 0.77 APP (0.53) APPSNCACYP1A2KDM4EMEN1
SCHEMBL4017592 0.75 KDM4E (0.34) APPKDM4EMEN1ALDH1A1MAPT
SCHEMBL9540346 0.73 APP (0.52) APPSNCACYP1A2KDM4EMEN1
SCHEMBL3862519 0.73 APP (0.52) APPSNCACYP1A2KDM4EMEN1
SCHEMBL4017596 0.73 KDM4E (0.31) APPKDM4EMEN1ALDH1A1MAPT
SCHEMBL4359986 0.72 ITGA4 (0.33) APPPOLBRAB9A
SCHEMBL532189 0.71 APP (0.55) APPSNCACYP1A2KDM4EMEN1
SCHEMBL327849 0.66 APP (0.63) APPSNCACYP1A2KDM4EMEN1
SCHEMBL13823326 0.66 USP2 (0.42) CYP1A2KDM4EMEN1ALDH1A1ALPL

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-8569516-B2 Compounds and methods for fluorescent labeling ELITECH HOLDING B.V. (NL) 2013-10-29 US disclosed
US-7601851-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-10-13 US disclosed