SCHEMBL30903607

SCHEMBL30903607

O=c1c(-c2ccccc2)coc2c(CO)cccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 7/20 0.60
▸ ALOX12 P18054 7/20 0.60
▸ ALDH1A1 P00352 6/20 0.52
▸ KDM4E B2RXH2 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ HPGD P15428 4/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ RCE1 Q9Y256 1/20 0.50
▸ XDH P47989 1/20 0.49
▸ PFKFB3 Q16875 1/20 0.49
▸ KLK7 P49862 1/20 0.48
▸ PIK3CA P42336 2/20 0.46
▸ MAOB P27338 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ TP53 P04637 2/20 0.44

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
SCHEMBL28576970 1.00 ALOX15 (0.60) ALOX15ALOX12ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11705295 0.87 PDCD1 (0.49) ALOX15ALOX12ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10486563 0.83 ALOX15 (0.70) ALOX15ALOX12ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8876175 0.80 ALOX15 (0.58) ALOX15ALOX12ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27924239 0.79 ALOX15 (0.57) ALOX15ALOX12ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27555045 0.79 ALOX15 (0.57) ALOX15ALOX12ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8876811 0.78 ALOX15 (0.56) ALOX15ALOX12ALDH1A1KDM4ESMN1; SMN2
SCHEMBL18235035 0.78 MAOB (0.44) ALOX15ALOX12ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8876237 0.77 ALOX15 (0.55) ALOX15ALOX12ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11191895 0.77 TDP1 (0.50) ALOX15ALOX12KDM4ESMN1; SMN2NPC1

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-113185486-B Antitumor agent 3-aryl-4H-chromen-4-one for the treatment of cancer 肯塔基大学研究基金会 2024-05-10 — — CN disclosed
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