SCHEMBL17895829

SCHEMBL17895829

COCCCn1c(C)nc2c1CCCc1c-2[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.34
▸ LMNA P02545 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TSHR P16473 2/20 0.32

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
SCHEMBL17895905 0.94 LMNA (0.34) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL17896078 0.89 HTT (0.34) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL17896001 0.88 ALDH1A1 (0.37) MAPTLMNAALDH1A1L3MBTL1KDM4E
SCHEMBL17895779 0.87 LMNA (0.34) MAPTLMNAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL17895974 0.87 ALDH1A1 (0.37) MAPTLMNAALDH1A1L3MBTL1KDM4E
SCHEMBL17895899 0.86 LMNA (0.33) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL17896153 0.85 LMNA (0.37) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL17896285 0.85 CRHBP (0.38) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL17895978 0.82 LMNA (0.34) MAPTLMNAALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL17895971 0.81 LMNA (0.30) MAPTLMNA

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
WO-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 — — WO claimed
WO-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 — — WO disclosed
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