SCHEMBL29196017

SCHEMBL29196017

FC(F)(F)c1ccc2c(c1)oc1cc[c]cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ EPHX2 P34913 2/20 0.36
▸ KCNMA1 Q12791 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2E1 P05181 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP4B1 P13584 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ CYP3A5 P20815 1/20 0.33
▸ CYP2A7 P20853 1/20 0.33
▸ CYP3A7 P24462 1/20 0.33
▸ CYP2F1 P24903 1/20 0.33
▸ CYP2C18 P33260 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL27212352 0.89 PIM1 (0.40) PIM1PIM3EPHX2KCNMA1CYP1A1
SCHEMBL5133924 0.76 KDM4E (0.33) CYP3A4HSD17B10KDM4EALDH1A1MAPT
SCHEMBL1926797 0.75 MAOB (0.40) HSD17B10KDM4EALDH1A1MAPTLMNA
SCHEMBL13564564 0.73 PIM1 (0.45) PIM1PIM3EPHX2KCNMA1CYP1A1
SCHEMBL1336718 0.73 — —
SCHEMBL10908694 0.73 KDM4E (0.67) PIM1PIM3CYP1A2CYP2C9KIF11
SCHEMBL11093395 0.73 PIM1 (0.42) PIM1PIM3EPHX2KCNMA1CYP1A1
SCHEMBL8113672 0.72 MAPT (0.34) CYP3A4HSD17B10KDM4EALDH1A1MAPT
SCHEMBL25726 0.71 MAPT (0.46) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL21295967 0.71 MMP12 (0.40) KDM4EALDH1A1MAPTAHRMEN1

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-117616032-A Rare earth complex 东曹株式会社 2024-02-27 — — CN disclosed
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