SCHEMBL28288349

SCHEMBL28288349

O=C(C=Cc1ccccc1Cc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 5/20 0.56
▸ PTGDR Q13258 5/20 0.56
▸ TBXA2R P21731 4/20 0.56
▸ PTGER2 P43116 4/20 0.56
▸ PTGFR P43088 3/20 0.54
▸ PTGER4 P35408 2/20 0.54
▸ MAPT P10636 6/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ BCHE P06276 2/20 0.53
▸ PTGIR P43119 2/20 0.52
▸ PTGER1 P34995 1/20 0.52
▸ MAOB P27338 3/20 0.51
▸ PLIN1 O60240 1/20 0.51
▸ TNFRSF1A P19438 1/20 0.51
▸ ACHE P22303 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ PLIN5 Q00G26 1/20 0.51
▸ CYP1B1 Q16678 1/20 0.51

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
SCHEMBL157606 0.85 PTGER3 (0.73) PTGER3PTGDRTBXA2RPTGER2PTGFR
SCHEMBL3183029 0.83 MAPT (0.55) PTGER3PTGER2PTGER4MAPTRAB9A
SCHEMBL7559553 0.83 RAB9A (0.59) MAPTRAB9ANPC1LMNABCHE
SCHEMBL3183044 0.83 MAPT (0.55) PTGER3PTGER2PTGER4MAPTRAB9A
SCHEMBL7559547 0.83 RAB9A (0.59) MAPTRAB9ANPC1LMNABCHE
SCHEMBL28068734 0.82 MAPT (0.54) MAPTRAB9ANPC1LMNABCHE
SCHEMBL28314097 0.82 MAPT (0.54) PTGER3PTGER2PTGER4MAPTRAB9A
SCHEMBL28068832 0.82 MAPT (0.54) MAPTRAB9ANPC1LMNABCHE
SCHEMBL4776127 0.82 PTGER3 (0.57) PTGER3PTGDRTBXA2RPTGER2PTGFR
SCHEMBL28331101 0.82 MAPT (0.54) MAPTRAB9ANPC1LMNABCHE

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
CN-109535118-A A kind of synthetic method of fisetin 陕西嘉禾生物科技股份有限公司 2019-03-29 — — CN disclosed
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