SCHEMBL16280989

SCHEMBL16280989

CNC(=O)CCC(=O)NCCC(F)CCNC(=O)CCC(=O)NC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 2/20 0.39
LPAR2 Q9HBW0 1/20 0.36
PKM P14618 1/20 0.35
CASP2 P42575 1/20 0.34
POLB P06746 2/20 0.34
GGPS1 O95749 3/20 0.34
FDPS P14324 3/20 0.34
CNR1 P21554 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NAAA Q02083 1/20 0.32
FAAH O00519 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL22134253 0.82 LMNA (0.50) ALDH1A1LMNAPKMPOLBCNR1
SCHEMBL23735527 0.80 ALDH1A1 (0.50) ALDH1A1LMNACASP2POLBTSHR
SCHEMBL23735522 0.76 CASP2 (0.56) ALDH1A1LMNACASP2HPGDTSHR
SCHEMBL1769601 0.76 OTC (0.45) ALDH1A1KMT2A
SCHEMBL1769646 0.76 OTC (0.45) ALDH1A1KMT2A
SCHEMBL17740222 0.74 CASP2 (0.48) ALDH1A1LMNACASP2POLBCNR1
SCHEMBL16281002 0.74 ALDH1A1 (0.45) ALDH1A1LMNACASP2POLBTSHR
SCHEMBL8414998 0.72 HDAC3 (0.50) ALDH1A1LMNACASP2POLBTSHR
SCHEMBL17949961 0.72 CASP2 (0.57) ALDH1A1LMNACASP2HPGDNAAA
SCHEMBL3660629 0.72 LMNA (0.63) ALDH1A1LMNAPOLBTSHR

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-8906844-B2 Immunomodulatory peptides BIOGEN IDEC HEMOPHILIA INC. (US) 2014-12-09 US disclosed