SCHEMBL8007083

SCHEMBL8007083

CCCCOC(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.82
HPGD P15428 4/20 0.82
LMNA P02545 1/20 0.82
NPC1 O15118 5/20 0.76
SMN1; SMN2 Q16637 5/20 0.76
CYP1A2 P05177 2/20 0.76
CYP2C9 P11712 2/20 0.76
CYP2C19 P33261 2/20 0.76
NR1H4 Q96RI1 6/20 0.67
EPHX2 P34913 1/20 0.59
CASP1 P29466 1/20 0.57
MITF O75030 1/20 0.55
PAX8 Q06710 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
PPARA Q07869 1/20 0.55
GPR35 Q9HC97 1/20 0.55

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
SCHEMBL7565913 0.88 RAB9A (0.81) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL7565917 0.86 RAB9A (0.72) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL10658594 0.85 LMNA (0.68) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL882828 0.85 RAB9A (0.72) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL12285188 0.84 RAB9A (0.74) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL13665249 0.84 RAB9A (0.78) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL30444388 0.84 HPGD (0.61) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL3765824 0.84 RAB9A (0.69) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL10192011 0.83 RAB9A (0.72) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL27422626 0.83 RAB9A (0.72) RAB9AHPGDLMNANPC1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773950-A4 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2000-05-17 EP disclosed
EP-0773950-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1997-05-21 EP disclosed
WO-1996002558-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1996-02-01 WO disclosed