Sugi Predict

Sugi Predict / Compounds / SCHEMBL13263294

SCHEMBL13263294

SCHEMBL13263294

CCCC1CCC(C2CC=C(c3ccc(-c4ccc(-c5ccc(O)c(F)c5F)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ TLR4 O00206 1/20 0.31

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
SCHEMBL15256148 0.93 ESR2 (0.32) ESR2MMP2MMP3
SCHEMBL13263115 0.91 ESR2 (0.34) ESR2TLR4
SCHEMBL8963565 0.89 MMP2 (0.32) ESR2MMP2MMP3
SCHEMBL8963420 0.88 MMP2 (0.34) MMP2MMP3TLR4
SCHEMBL9019609 0.88 ESR2 (0.31) ESR2MMP2MMP3
SCHEMBL8963502 0.87 MMP2 (0.32) MMP2MMP3
SCHEMBL8963542 0.87 CCNT1 (0.32) MMP2MMP3
SCHEMBL8963607 0.87 NPC1 (0.33) MMP2MMP3
SCHEMBL28690958 0.86 TLR4 (0.36) TLR4
SCHEMBL12999813 0.86 MMP2 (0.30) MMP2MMP3

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
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 — — EP disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 — — EP disclosed