SCHEMBL9872188

SCHEMBL9872188

O=C1C=CCC(COCc2ccccc2)O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
PTPN1 P18031 2/20 0.46
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44
CA1 P00915 2/20 0.44
CA4 P22748 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA3 P07451 1/20 0.44
CDC25B P30305 1/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
HTT P42858 2/20 0.42

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
SCHEMBL10439532 1.00 LMNA (0.57) LMNAPTPN1PSEN1PSEN2APH1B
SCHEMBL7081405 0.78 CYP3A4 (0.54) LMNACA1CA4CA14CA3
SCHEMBL3142790 0.78 LMNA (0.63) LMNAPTPN1CDC25BHTTMAPT
SCHEMBL11372268 0.76 LMNA (0.50) LMNAPTPN1CDC25BHTTL3MBTL1
SCHEMBL8935305 0.75 PTPN1 (0.57) LMNAPTPN1CDC25BL3MBTL1TSHR
SCHEMBL8935309 0.75 PTPN1 (0.57) LMNAPTPN1CDC25BL3MBTL1TSHR
SCHEMBL10280608 0.75 PSEN1 (0.54) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL6336780 0.75 LMNA (0.49) LMNAPTPN1CDC25BHTTL3MBTL1
SCHEMBL8308521 0.74 LMNA (0.58) LMNAPTPN1CDC25BL3MBTL1TSHR
SCHEMBL883429 0.74 LMNA (0.58) LMNAPTPN1CDC25BL3MBTL1TSHR

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-4985571-A 6-membered lactones useful as intermediates for antilipemic mevalonic acid lactones Takano, Seiichi (JP) 1991-01-15 US disclosed