SCHEMBL8577357

SCHEMBL8577357

CCOC(=O)C1(OC(=O)Cc2c(F)cccc2Cl)CCCCC1OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 4/20 0.48
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 2/20 0.43
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL8576908 0.93 KDM4E (0.42) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL8575948 0.85 SMN1; SMN2 (0.34) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL8577175 0.81 GPR35 (0.36) KMT2ASMN1; SMN2MEN1KDM4EALDH1A1
SCHEMBL8576979 0.80 KMT2A (0.49) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL8575949 0.80 KMT2A (0.47) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL8579588 0.79 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL8575244 0.79 ALDH1A1 (0.36) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL8578670 0.78 KMT2A (0.41) KMT2ASMN1; SMN2MEN1GAAKDM4E
SCHEMBL8577363 0.78 MEN1 (0.34) KMT2ASMN1; SMN2MEN1KDM4ETSHR
SCHEMBL8578473 0.77 KMT2A (0.49) KMT2ASMN1; SMN2MEN1GAAKDM4E

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