SCHEMBL31332164

SCHEMBL31332164

CCOc1ccc(O)c(OCC)c1OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.47
▸ ALDH1A1 P00352 7/20 0.46
▸ TUBB1 Q9H4B7 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.41
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TOP2A P11388 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ NPC1 O15118 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
SCHEMBL1838297 1.00 ESR1 (0.47) ESR1ALDH1A1TUBB1MEN1KMT2A
SCHEMBL11131743 0.89 NQO1 (0.46) ESR1ALDH1A1TUBB1MEN1KMT2A
SCHEMBL28960718 0.88 ALDH1A1 (0.41) ESR1ALDH1A1TUBB1MEN1KMT2A
SCHEMBL9196941 0.86 ALDH1A1 (0.48) ALDH1A1TUBB1MEN1KMT2AKDM4E
SCHEMBL5588485 0.85 ESR1 (0.46) ESR1ALDH1A1TUBB1MEN1KMT2A
Acrylic Acid SCHEMBL28543664 0.85 ALDH1A1 (0.43) ESR1ALDH1A1TUBB1MEN1KMT2A
SCHEMBL27316766 0.83 ALDH1A1 (0.43) ESR1ALDH1A1TUBB1MEN1KMT2A
Propane SCHEMBL27691099 0.82 LMNA (0.42) ESR1ALDH1A1TUBB1MEN1KMT2A
SCHEMBL34475986 0.81 ALDH1A1 (0.45) ALDH1A1TUBB1MEN1KMT2AKDM4E
SCHEMBL1835919 0.81 ALDH1A1 (0.45) ALDH1A1TUBB1MEN1KMT2AKDM4E

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-119286304-A UV (ultraviolet) metal ink for special paper, preparation method thereof and printing product 东莞当纳利印刷有限公司 2025-01-10 — — CN claimed
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