SCHEMBL8728447

SCHEMBL8728447

C=CCCOCc1ccc(CCCCc2ccc(CCCCc3ccc(C=CC)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 5/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
MET P08581 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
AKR1B10 O60218 1/20 0.32

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
SCHEMBL8725521 0.90 LMNA (0.36) L3MBTL1TDP1LMNATP53CYP3A4
SCHEMBL8730749 0.90 LMNA (0.36) L3MBTL1TDP1LMNATP53CYP3A4
SCHEMBL8725518 0.90 LMNA (0.36) L3MBTL1TDP1LMNATP53CYP3A4
SCHEMBL8730743 0.90 LMNA (0.36) L3MBTL1TDP1LMNATP53CYP3A4
SCHEMBL8728444 0.88 TDP1 (0.36) L3MBTL1TDP1LMNATP53CYP3A4
SCHEMBL8728450 0.88 TDP1 (0.36) L3MBTL1TDP1LMNATP53CYP3A4
SCHEMBL8732328 0.84 NAAA (0.36) L3MBTL1TDP1LMNATP53CYP3A4
SCHEMBL8727487 0.84 NAAA (0.36) L3MBTL1TDP1LMNATP53CYP3A4
SCHEMBL8727489 0.84 NAAA (0.36) L3MBTL1TDP1LMNATP53CYP3A4
SCHEMBL8732332 0.84 NAAA (0.36) L3MBTL1TDP1LMNATP53CYP3A4

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-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 EP disclosed