SCHEMBL7318314

SCHEMBL7318314

Cc1cc(C(C)O)c([N+](=O)[O-])cc1OCCCCCC(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.43
THRB P10828 2/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 3/20 0.41
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
VDR P11473 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 4/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CTSB P07858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL7312450 0.89 LMNA (0.44) THRATHRBLMNASMN1; SMN2NPSR1
SCHEMBL7308459 0.85 THRA (0.44) THRATHRBLMNASMN1; SMN2NPSR1
SCHEMBL7319873 0.84 THRA (0.44) THRATHRBLMNASMN1; SMN2NPSR1
SCHEMBL7313188 0.81 LMNA (0.52) THRATHRBLMNASMN1; SMN2NPSR1
SCHEMBL7315762 0.81 LMNA (0.44) THRATHRBLMNASMN1; SMN2NPSR1
SCHEMBL26369296 0.79 TSHR (0.49) LMNAL3MBTL1MAPK1TSHRALDH1A1
SCHEMBL7310331 0.77 PKM (0.43) THRBLMNASMN1; SMN2L3MBTL1MAPK1
SCHEMBL7320757 0.76 LMNA (0.44) THRATHRBLMNASMN1; SMN2NPSR1
SCHEMBL7315787 0.76 LMNA (0.46) THRATHRBLMNASMN1; SMN2NPSR1
SCHEMBL7307893 0.75 LMNA (0.43) THRATHRBLMNASMN1; SMN2L3MBTL1

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