SCHEMBL29010565

SCHEMBL29010565

O=C(C=Cc1ccccc1)OCC1OC1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ MGLL Q99685 2/20 0.53
▸ AKR1B10 O60218 5/20 0.51
▸ AKR1B1 P15121 5/20 0.51
▸ RAB9A P51151 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ CA5B Q9Y2D0 1/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ APP P05067 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ HDAC3 O15379 1/20 0.42

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
SCHEMBL29010563 1.00 LMNA (0.54) LMNAMGLLAKR1B10AKR1B1RAB9A
SCHEMBL8943453 0.81 TSHR (0.48) MGLLTSHRALDH1A1CYP2C9
SCHEMBL9698652 0.80 MGLL (0.50) LMNAMGLLAKR1B10AKR1B1RAB9A
SCHEMBL29460473 0.80 MGLL (0.50) LMNAMGLLAKR1B10AKR1B1RAB9A
SCHEMBL14682242 0.78 MGLL (0.65) LMNAMGLLAKR1B10AKR1B1RAB9A
SCHEMBL6860725 0.78 TSHR (0.54) KMT2AMEN1TSHRALDH1A1CYP1A2
SCHEMBL3350751 0.78 TSHR (0.54) TSHRALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL6860722 0.78 TSHR (0.54) TSHRALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL3350757 0.78 TSHR (0.54) KMT2AMEN1TSHRALDH1A1CYP1A2
SCHEMBL1132635 0.77 MGLL (0.84) LMNAMGLLAKR1B10AKR1B1RAB9A

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
CN-111217769-B Method for synthesizing epoxy compound by catalyzing olefin epoxy by using nano alumina 华南理工大学 2023-04-21 — — CN claimed
CN-111217769-B Method for synthesizing epoxy compound by catalyzing olefin epoxy by using nano alumina 华南理工大学 2023-04-21 — — CN disclosed
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