SCHEMBL11237508

SCHEMBL11237508

CC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3c(F)c(F)c(F)c(F)c3F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
CYP19A1 P11511 1/20 0.31
OPRM1 P35372 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL11220519 0.88 MAPK1 (0.34) F2POLBKMT2AHTTSMN1; SMN2
SCHEMBL11220517 0.88 MAPK1 (0.34) F2POLBKMT2AHTTSMN1; SMN2
SCHEMBL11032038 0.84 SMN1; SMN2 (0.41) POLBKMT2AHTTSMN1; SMN2TDP1
SCHEMBL11032040 0.84 SMN1; SMN2 (0.41) POLBKMT2AHTTSMN1; SMN2TDP1
SCHEMBL20766727 0.83 KMT2A (0.42) KMT2AHTTSMN1; SMN2TDP1MEN1
SCHEMBL9503334 0.82 KDM4E (0.30) POLBSMN1; SMN2
SCHEMBL9503388 0.82 HPGD (0.34) POLBKMT2ASMN1; SMN2MEN1CYP19A1
SCHEMBL9503344 0.82 KDM4E (0.30) POLBSMN1; SMN2
SCHEMBL9503381 0.82 HPGD (0.34) POLBKMT2ASMN1; SMN2MEN1CYP19A1
SCHEMBL14274428 0.81 HTT (0.37) F2POLBKMT2AHTTSMN1; 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
JP-57176931-A None JP disclosed
JP-S57176931-A CARBOXYLIC ACID PENTAFLUOROPHENOL ESTER CHISSO CORP 1982-10-30 JP disclosed