SCHEMBL7309552

SCHEMBL7309552

CCCCCN(CCCCC)C(=O)CCCOc1cc(F)cc([N+](=O)[O-])c1C(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PDE6D O43924 4/20 0.34
ESR1 P03372 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL7310719 0.84 THRA (0.42) THRATHRBMAPTALDH1A1ESR1
SCHEMBL7311177 0.83 THRA (0.42) THRATHRBMAPTALDH1A1ESR1
SCHEMBL7308962 0.76 HPGD (0.42) THRATHRBMAPTALDH1A1NPC1
SCHEMBL7317826 0.75 THRA (0.35) THRATHRBMAPTALDH1A1PDE6D
SCHEMBL7316914 0.72 THRA (0.46) THRATHRBMAPTALDH1A1CYP1A2
SCHEMBL7317566 0.69 THRB (0.44) THRATHRBMAPTALDH1A1NPC1
SCHEMBL7318364 0.69 THRA (0.39) THRATHRBMAPTALDH1A1NPC1
SCHEMBL10376795 0.69 SIRT5 (0.44) THRATHRBMAPTALDH1A1HPGD
SCHEMBL7344986 0.69 LMNA (0.48) THRATHRBALDH1A1NPC1TSHR
SCHEMBL10374480 0.68 SIRT5 (0.43) THRATHRBMAPTALDH1A1HPGD

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