SCHEMBL20006378

SCHEMBL20006378

C=C(C)C(O)Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.52
▸ ESR1 P03372 4/20 0.48
▸ ESR2 Q92731 4/20 0.48
▸ ACHE P22303 1/20 0.41
▸ LMNA P02545 4/20 0.38
▸ ALOX12 P18054 4/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD11B1 P28845 1/20 0.30
▸ ADORA3 P0DMS8 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
SCHEMBL20006658 0.86 ESR1 (0.50) PPARAESR1ESR2ACHELMNA
SCHEMBL20006517 0.82 ESR1 (0.56) PPARAESR1ESR2ACHELMNA
SCHEMBL1129752 0.73 ESR1 (0.87) PPARAESR1ESR2ACHELMNA
SCHEMBL14760430 0.73 ESR1 (0.87) PPARAESR1ESR2ACHELMNA
SCHEMBL14173047 0.72 PPARA (0.55) PPARAESR1ESR2ACHELMNA
SCHEMBL10899114 0.72 ACHE (0.79) PPARAESR1ESR2ACHELMNA
SCHEMBL10942581 0.72 ACHE (0.79) PPARAESR1ESR2ACHELMNA
SCHEMBL12893277 0.71 ESR1 (0.62) PPARAESR1ESR2ACHELMNA
SCHEMBL17523062 0.70 ESR1 (0.59) PPARAESR1ESR2ACHELMNA
SCHEMBL19268516 0.70 ESR1 (0.59) PPARAESR1ESR2ACHELMNA

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-2738611-B1 Positively chargeable monolayer electrophotographic photosensitive member and image forming apparatus KYOCERA DOCUMENT SOLUTIONS INC (JP) 2018-03-28 — — EP disclosed
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