SCHEMBL29651335

SCHEMBL29651335

CC(C)=CCC/C(C)=C/CCC1(C)C=Cc2c(c3ccccc3oc2=O)O1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ VKORC1 Q9BQB6 2/20 0.54
▸ APP P05067 2/20 0.50
▸ MAPT P10636 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ PNLIP P16233 1/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ ALOX15 P16050 3/20 0.46
▸ NR1H4 Q96RI1 2/20 0.46
▸ BACE1 P56817 2/20 0.46
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ IDE P14735 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ BCHE P06276 1/20 0.41

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
SCHEMBL27417832 0.81 APP (0.58) VKORC1APPMAPTKMT2AMEN1
SCHEMBL29884371 0.75 APP (0.51) APPMAPTKMT2AMEN1PNLIP
SCHEMBL29035311 0.74 KMT2A (0.66) APPMAPTKMT2AMEN1PNLIP
SCHEMBL30366382 0.74 KMT2A (0.66) APPMAPTKMT2AMEN1PNLIP
SCHEMBL27160317 0.73 APP (0.63) APPMAPTKMT2AMEN1PNLIP
SCHEMBL27414830 0.73 APP (0.63) APPMAPTKMT2AMEN1PNLIP
SCHEMBL27160318 0.73 APP (0.63) APPMAPTKMT2AMEN1PNLIP
SCHEMBL27160316 0.73 APP (0.63) APPMAPTKMT2AMEN1PNLIP
SCHEMBL10603080 0.72 APP (0.62) APPMAPTKMT2AMEN1PNLIP
SCHEMBL5309688 0.71 VKORC1 (1.00) VKORC1KMT2AMEN1PTPN1ALOX15

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-113150006-B Pyran compound and synthetic method thereof 五邑大学 2022-07-05 — — CN disclosed
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