SCHEMBL7309987

SCHEMBL7309987

Cc1c(OCCCCCCC(=O)N(C)c2ccccc2)ccc([N+](=O)[O-])c1C=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
THRA P10827 3/20 0.40
ALDH1A1 P00352 6/20 0.39
THRB P10828 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HTT P42858 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL10374669 0.88 L3MBTL1 (0.45) L3MBTL1THRAALDH1A1THRBMAPT
SCHEMBL10377228 0.88 L3MBTL1 (0.45) L3MBTL1THRAALDH1A1THRBMAPT
SCHEMBL7316054 0.87 ALDH1A1 (0.46) L3MBTL1THRAALDH1A1THRBMAPT
SCHEMBL7318121 0.85 L3MBTL1 (0.42) L3MBTL1THRAALDH1A1THRBKDM4E
SCHEMBL10374681 0.84 THRA (0.43) L3MBTL1THRAALDH1A1THRBMAPT
SCHEMBL7307955 0.83 L3MBTL1 (0.43) L3MBTL1THRAALDH1A1THRBKDM4E
SCHEMBL7307111 0.80 TSHR (0.44) L3MBTL1ALDH1A1MAPTKDM4EGAA
Hydrochloric Acid SCHEMBL7312045 0.79 TSHR (0.43) L3MBTL1ALDH1A1MAPTKDM4EGAA
SCHEMBL10375834 0.78 PDE3B (0.42) L3MBTL1THRAALDH1A1THRBMAPT
SCHEMBL10376583 0.78 ALDH1A1 (0.41) L3MBTL1THRAALDH1A1MAPTKDM4E

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed