SCHEMBL6896828

SCHEMBL6896828

C[C@@H](O)[C@@H](N)C(NCc1c(Cl)cccc1Oc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
DPP4 P27487 1/20 0.48
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 1/20 0.44
SMOX Q9NWM0 2/20 0.44
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
KDM1A O60341 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
XIAP P98170 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL8279827 0.79 DPP4 (0.58) LMNADPP4MAPTPOLBGAA
SCHEMBL6890978 0.78 LMNA (0.50) LMNAALDH1A1KMT2ACASR
SCHEMBL6895745 0.73 LMNA (0.47) LMNAPOLBALDH1A1KMT2ANPSR1
SCHEMBL4692485 0.73 CASR (0.57) KMT2ACASR
SCHEMBL165645 0.73 CASR (0.57) KMT2ACASR
SCHEMBL6894820 0.73 CYP1A2 (0.60) LMNAPOLBALDH1A1KMT2AL3MBTL1
SCHEMBL6890574 0.72 PLA2G1B (0.52) LMNAPOLBALDH1A1KMT2ANPSR1
SCHEMBL6892337 0.72 LMNA (0.52) LMNAKMT2A
SCHEMBL3649450 0.72 TACR1 (0.46) LMNAPOLBALDH1A1KMT2ATDP1
SCHEMBL14452021 0.72 DPP4 (0.63) LMNADPP4MAPTPOLBGAA

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
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed