SCHEMBL8678804

SCHEMBL8678804

CCC(NC(=O)c1ccccc1)(Oc1ccc(OCCCCc2ccccc2)c(C)c1C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
NR1H4 Q96RI1 1/20 0.41
SCN5A Q14524 4/20 0.41
SCN2A Q99250 4/20 0.41
CXCR2 P25025 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 1/20 0.39
S1PR1 P21453 1/20 0.39
PPARG P37231 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL8677002 0.99 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DNR1H4
SCHEMBL8678035 0.97 PPARG (0.41) PDE4APDE4BPDE4CPDE4DNR1H4
SCHEMBL8679823 0.94 PPARA (0.40) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL8678800 0.85 CXCR2 (0.45) PDE4APDE4BPDE4CPDE4DSCN5A
SCHEMBL8676570 0.84 SENP7 (0.42) NPC1RAB9AKMT2AHDAC1PPARG
SCHEMBL8677000 0.84 CXCR2 (0.44) PDE4APDE4BPDE4CPDE4DCXCR2
SCHEMBL8679799 0.82 MAPT (0.42) NPC1RAB9AKMT2AHDAC1PPARG
SCHEMBL8676393 0.81 MRGPRX4 (0.47) NR1H4HDAC1SMN1; SMN2
SCHEMBL8678032 0.81 CXCR2 (0.44) PDE4APDE4BPDE4CPDE4DCXCR2
SCHEMBL8679540 0.80 PTGER1 (0.44) NPC1RAB9AMEN1KMT2AHDAC1

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-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed