SCHEMBL6787370

SCHEMBL6787370

CCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.66
POLB P06746 2/20 0.55
ACE P12821 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
NPY1R P25929 4/20 0.52
NPY5R Q15761 2/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CTSB P07858 2/20 0.49
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA2 P00918 1/20 0.48
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
GNPAT O15228 1/20 0.46

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
SCHEMBL5313786 0.86 NPY1R (0.50) MMEPOLBNPY1RNPY5RCTSB
SCHEMBL5313792 0.86 NPY1R (0.50) MMEPOLBNPY1RNPY5RCTSB
SCHEMBL9828894 0.85 MME (0.63) MMEPOLBACECPA1ACE2
SCHEMBL9828899 0.85 MME (0.63) MMEPOLBACECPA1ACE2
SCHEMBL7597310 0.85 NPY1R (0.52) MMEPOLBNPY1RNPY5RCNR1
SCHEMBL8121995 0.85 NPY1R (0.52) MMEPOLBNPY1RNPY5RCNR1
SCHEMBL7597314 0.85 NPY1R (0.52) MMEPOLBNPY1RNPY5RCNR1
SCHEMBL9825139 0.84 MME (0.65) MMEPOLBACECPA1ACE2
SCHEMBL9830037 0.84 MME (0.62) MMEPOLBACECPA1ACE2
Hydrochloric Acid SCHEMBL9200911 0.84 NPY1R (0.51) MMEPOLBNPY1RNPY5RCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed
US-6340691-B1 TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-01-22 US disclosed