SCHEMBL7318561

SCHEMBL7318561

CC(=O)c1c(OCCCCCCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
THRA P10827 4/20 0.44
THRB P10828 3/20 0.44
NPC1 O15118 3/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
VDR P11473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 2/20 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
SCHEMBL7315762 0.85 LMNA (0.44) LMNASMN1; SMN2NPSR1THRATHRB
SCHEMBL7312024 0.85 THRA (0.44) LMNASMN1; SMN2NPSR1THRATHRB
SCHEMBL7312020 0.82 LMNA (0.46) LMNASMN1; SMN2NPSR1THRATHRB
SCHEMBL7315787 0.82 LMNA (0.46) LMNASMN1; SMN2NPSR1THRATHRB
SCHEMBL7308459 0.80 THRA (0.44) LMNASMN1; SMN2NPSR1THRATHRB
SCHEMBL7312450 0.77 LMNA (0.44) LMNASMN1; SMN2NPSR1THRATHRB
SCHEMBL7309041 0.76 LMNA (0.43) LMNASMN1; SMN2NPSR1THRATHRB
SCHEMBL7319873 0.76 THRA (0.44) LMNASMN1; SMN2NPSR1THRATHRB
SCHEMBL7318314 0.75 THRA (0.43) LMNASMN1; SMN2NPSR1THRATHRB
SCHEMBL7319372 0.74 ALDH1A1 (0.47) LMNASMN1; SMN2THRATHRBNPC1

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