SCHEMBL28989629

SCHEMBL28989629

CC=C(C)C(=O)Oc1cccc2c1ccc1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ PGR P06401 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KMT2A Q03164 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HPRT1 P00492 1/20 0.41
▸ NCEH1 Q6PIU2 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ POLB P06746 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ FABP7 O15540 1/20 0.38
▸ FABP3 P05413 1/20 0.38

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
SCHEMBL1336291 0.91 ALDH1A1 (0.57) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL6836791 0.91 ALDH1A1 (0.57) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL28989650 0.85 ALDH1A1 (0.44) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL29617400 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL28445125 0.85 GPR84 (0.46) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL29733205 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL13374668 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL27100742 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL11152562 0.83 ALDH1A1 (0.54) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL28689978 0.83 ALDH1A1 (0.54) ALDH1A1HSD17B10GAAPGRPTGS1

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-115989251-A Composition comprising an additive having polycyclic aromatic groups 伊英克公司 2023-04-18 — — CN disclosed
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