SCHEMBL8672001

SCHEMBL8672001

CCCCCCCCCCc1ccc(N)c(C(=O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.56
PPARA Q07869 2/20 0.52
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
PPARG P37231 1/20 0.49
GAA P10253 1/20 0.49
RARB P10826 4/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
RARA P10276 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48
PLK1 P53350 3/20 0.47
PLK3 Q9H4B4 3/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
CDC25B P30305 1/20 0.46
CASP6 P55212 1/20 0.46
RCE1 Q9Y256 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
SCHEMBL8668315 0.90 PPARA (0.55) KAT8PPARAMAPTPPARGGAA
SCHEMBL1979931 0.86 KAT8 (0.72) KAT8PPARAMAPTPPARGRARB
SCHEMBL10590574 0.86 KAT8 (0.72) KAT8PPARAMAPTPPARGRARB
SCHEMBL2076751 0.85 KAT8 (0.70) KAT8PPARAMAPTPPARGRARB
SCHEMBL10801712 0.85 KAT8 (0.70) KAT8PPARAMAPTPPARGRARB
SCHEMBL8461758 0.83 PPARA (0.72) KAT8PPARAPPARGGAARARB
SCHEMBL30697259 0.83 PPARA (0.72) KAT8PPARAPPARGGAARARB
SCHEMBL4285667 0.83 PPARA (0.72) KAT8PPARAPPARGGAARARB
SCHEMBL28330167 0.83 PPARA (0.72) KAT8PPARAPPARGGAARARB
SCHEMBL31220575 0.83 PPARA (0.72) KAT8PPARAPPARGGAARARB

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
US-5753649-A Therapeutic agent for osteoporosis and diazepine compound YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
US-5593988-A DIAZIPINE DERIVATIVES OF THIOPHENE FOR BONE DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
EP-0638560-A1 REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-15 EP disclosed