SCHEMBL1584098

SCHEMBL1584098

CCCCC1C(=O)NCCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.41
FAAH O00519 1/20 0.40
NAAA Q02083 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL22440090 0.94 TSHR (0.46) TSHRL3MBTL1KMT2AFAAHNAAA
SCHEMBL9029302 0.81 L3MBTL1 (0.41) TSHRL3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL9029295 0.81 L3MBTL1 (0.41) TSHRL3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL23925182 0.81 TSHR (0.50) TSHRL3MBTL1KMT2AALDH1A1KDM4E
Dimethylamine SCHEMBL28896303 0.80 TSHR (0.49) TSHRL3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL7497591 0.77 DPP4 (0.51) TSHRL3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL7412000 0.77 DPP4 (0.51) TSHRL3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL9003051 0.75 KMT2A (0.68) TSHRL3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL9003054 0.75 KMT2A (0.68) TSHRL3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL28433612 0.74 KMT2A (0.51) TSHRKMT2AALDH1A1KDM4ELMNA

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
WO-2011041713-A2 PIPERAZINYL ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-07 WO disclosed