SCHEMBL8575823

SCHEMBL8575823

CCOC(=O)C1(OC(=O)Cc2ccc(Cl)cc2Cl)CCC(OC)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
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 2/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 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
P2RX7 Q99572 2/20 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
SCHEMBL8577976 0.92 KMT2A (0.40) KMT2AADCY8ALDH1A1MEN1HTT
SCHEMBL8576660 0.89 KMT2A (0.41) KMT2AADCY8ALDH1A1MEN1HTT
SCHEMBL8580842 0.89 ADCY8 (0.39) KMT2AADCY8ALDH1A1MEN1HTT
SCHEMBL8579607 0.89 ALDH1A1 (0.41) KMT2AADCY8ALDH1A1MEN1HTT
SCHEMBL18958947 0.86 KMT2A (0.49) KMT2AADCY8ALDH1A1MEN1HTT
SCHEMBL8207706 0.85 KMT2A (0.43) KMT2AADCY8ALDH1A1MEN1HTT
SCHEMBL7233172 0.84 ADCY8 (0.44) KMT2AADCY8ALDH1A1MEN1HTT
SCHEMBL8580757 0.83 SMN1; SMN2 (0.35) KMT2AALDH1A1MEN1HTTL3MBTL1
SCHEMBL8577916 0.83 KMT2A (0.41) KMT2AADCY8ALDH1A1MEN1HTT
SCHEMBL13547993 0.82 GRM1 (0.33) SLC6A4GAASMN1; 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 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