SCHEMBL8708016

SCHEMBL8708016

CCOC(=O)C1(C(=O)Cc2c(C)cc(C)cc2C)CCCCC1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.35
MAPT P10636 5/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33

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
SCHEMBL8709790 0.92 EPHX2 (0.35) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL8705521 0.87 EPHX2 (0.33) ALDH1A1GAAKDM4EHPGDLMNA
SCHEMBL8703945 0.84 MEN1 (0.36) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL8575244 0.81 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL8703085 0.80 TAS1R3 (0.35) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL8708095 0.78 SMN1; SMN2 (0.37) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL8707575 0.76 TAS1R3 (0.39) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL8704313 0.76 MEN1 (0.33) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL8704072 0.75 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL8703912 0.75 SMN1; SMN2 (0.40) ALDH1A1MEN1KMT2AOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed