SCHEMBL27582280

SCHEMBL27582280

CC(C)=CCC/C(C)=C/Cc1c(O)c2cccc(OCCC(O)CO)c2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VKORC1 Q9BQB6 2/20 0.53
▸ MAOA P21397 1/20 0.47
▸ ALOX15 P16050 7/20 0.46
▸ MGAM O43451 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ SI P14410 3/20 0.40
▸ PTPN1 P18031 3/20 0.40
▸ MGAM2 Q2M2H8 3/20 0.40
▸ DYRK1A Q13627 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39

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
SCHEMBL6277198 0.89 ALOX15 (0.48) VKORC1MAOAALOX15MGAMGAA
SCHEMBL6277192 0.89 ALOX15 (0.48) VKORC1MAOAALOX15MGAMGAA
SCHEMBL27599578 0.88 VKORC1 (0.58) VKORC1MAOAALOX15MGAMGAA
SCHEMBL27599708 0.87 VKORC1 (0.56) VKORC1MAOAALOX15MGAMGAA
SCHEMBL27582378 0.84 VKORC1 (0.54) VKORC1MAOAALOX15MGAMGAA
SCHEMBL27599563 0.83 VKORC1 (0.52) VKORC1MAOA
SCHEMBL27582310 0.80 VKORC1 (0.55) VKORC1MAOAALOX15
SCHEMBL27599542 0.80 VKORC1 (0.56) VKORC1MAOAALOX15MGAMGAA
SCHEMBL27582366 0.78 VKORC1 (0.53) VKORC1MAOAALOX15
SCHEMBL27599601 0.78 MEN1 (0.35) —

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-1473565-A Benzopyrany/derivatives and antiallergic agent ���ձ���ī��ѧ��ʽ���� 2004-02-11 — — CN disclosed
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