SCHEMBL27599671

SCHEMBL27599671

CC(C)=CCC/C(C)=C/Cc1c(O)c2c(C(=O)OCCO)cccc2oc1=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ VKORC1 Q9BQB6 2/20 0.59
▸ ALOX5 P09917 2/20 0.46
▸ MGAM O43451 5/20 0.44
▸ GAA P10253 5/20 0.44
▸ SI P14410 5/20 0.44
▸ MGAM2 Q2M2H8 5/20 0.44
▸ SMPD1 P17405 2/20 0.44
▸ PTPN1 P18031 2/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ MAOA P21397 1/20 0.43
▸ PTGES O14684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL27582370 0.81 VKORC1 (0.59) VKORC1ALOX5MGAMGAASI
SCHEMBL27599677 0.80 VKORC1 (0.61) VKORC1ALOX5MGAMGAASI
SCHEMBL16768172 0.76 VKORC1 (0.97) VKORC1ALOX5MGAMGAASI
SCHEMBL27582350 0.75 POLB (0.43) MAOA
SCHEMBL27599708 0.75 VKORC1 (0.56) VKORC1ALOX5MGAMGAASI
SCHEMBL5309688 0.74 VKORC1 (1.00) VKORC1ALOX5MGAMGAASI
SCHEMBL5309695 0.74 VKORC1 (1.00) VKORC1ALOX5MGAMGAASI
SCHEMBL27582365 0.73 VKORC1 (0.56) VKORC1ALOX5MGAMGAASI
SCHEMBL27599715 0.73 VKORC1 (0.62) VKORC1ALOX5MGAMGAASI
SCHEMBL27599592 0.73 VKORC1 (0.62) VKORC1ALOX5MGAMGAASI

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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