SCHEMBL17220166

SCHEMBL17220166

C[C@H]1C[C@](C)(C2CCCCC2)C(=O)O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.33
CYP3A4 P08684 3/20 0.33
MAPK1 P28482 3/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HIF1A Q16665 2/20 0.33
CYP1A2 P05177 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
TFPI2 P48307 1/20 0.33
PPP5C P53041 1/20 0.33
PPP2CA P67775 1/20 0.33
PPP1CA P62136 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL12616582 0.71 SMN1; SMN2 (0.39) TP53CYP3A4MAPK1LMNASMN1; SMN2
SCHEMBL441723 0.69
SCHEMBL19067579 0.67 HTR7 (0.37) SMN1; SMN2
SCHEMBL2380647 0.66
SCHEMBL5346800 0.66
SCHEMBL20079554 0.66
SCHEMBL11056568 0.64 ACACB (0.37) LMNASMN1; SMN2CA1CA9
SCHEMBL4166949 0.64 KMT2A (0.41) LMNAKMT2AKDM4EMEN1TSHR
SCHEMBL981185 0.63
SCHEMBL981175 0.63

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
EP-1853679-B1 COMPOSITIONS COMPRISING A FLUOROOLEFIN DU PONT (US) 2015-11-04 EP disclosed