SCHEMBL8577976

SCHEMBL8577976

CCOC(=O)C1(OC(=O)Cc2ccc(Cl)cc2Cl)CCC(OCC)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ADCY8 P40145 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 3/20 0.37
P2RX7 Q99572 2/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8575823 0.92 KMT2A (0.40) KMT2AADCY8SLC6A2SLC6A4ALDH1A1
SCHEMBL8580842 0.89 ADCY8 (0.39) KMT2AADCY8SLC6A2SLC6A4ALDH1A1
SCHEMBL8579607 0.89 ALDH1A1 (0.41) KMT2AADCY8SLC6A2SLC6A4ALDH1A1
SCHEMBL18958947 0.86 KMT2A (0.49) KMT2AADCY8ALDH1A1HTTKDM4E
SCHEMBL8207706 0.85 KMT2A (0.43) KMT2AADCY8ALDH1A1HTTKDM4E
SCHEMBL7233172 0.84 ADCY8 (0.44) KMT2AADCY8ALDH1A1HTTKDM4E
SCHEMBL8578480 0.83 CHRM2 (0.36) KMT2ASLC6A2SLC6A4ALDH1A1HTT
SCHEMBL8576660 0.83 KMT2A (0.41) KMT2AADCY8SLC6A2SLC6A4ALDH1A1
SCHEMBL8577916 0.83 KMT2A (0.41) KMT2AADCY8SLC6A2SLC6A4ALDH1A1
SCHEMBL8579728 0.82 KMT2A (0.39) KMT2AALDH1A1KDM4EGAAMAPK1

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-5719310-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
US-5610122-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed