SCHEMBL27599708

SCHEMBL27599708

CC(C)=CCC/C(C)=C/Cc1c(O)c2c(OCCC(O)CO)cccc2oc1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ VKORC1 Q9BQB6 2/20 0.56
▸ ALOX15 P16050 3/20 0.49
▸ ALOX5 P09917 2/20 0.46
▸ MAOA P21397 1/20 0.43
▸ MGAM O43451 5/20 0.43
▸ GAA P10253 5/20 0.43
▸ SI P14410 5/20 0.43
▸ MGAM2 Q2M2H8 5/20 0.43
▸ PTPN1 P18031 3/20 0.43
▸ PTGES O14684 1/20 0.42
▸ SMPD1 P17405 2/20 0.42
▸ NQO1 P15559 1/20 0.42
▸ ABCG2 Q9UNQ0 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
SCHEMBL27599677 0.88 VKORC1 (0.61) VKORC1ALOX15ALOX5MAOAMGAM
SCHEMBL6277224 0.88 ALOX15 (0.49) VKORC1ALOX15MAOAMGAMGAA
SCHEMBL6277219 0.88 ALOX15 (0.49) VKORC1ALOX15MAOAMGAMGAA
SCHEMBL27582280 0.87 VKORC1 (0.53) VKORC1ALOX15MAOAMGAMGAA
SCHEMBL27599542 0.82 VKORC1 (0.56) VKORC1ALOX15ALOX5MAOAMGAM
SCHEMBL27599596 0.77 NQO1 (0.40) ALOX15NQO1
SCHEMBL27599722 0.77 VKORC1 (0.54) VKORC1ALOX15MGAMGAASI
SCHEMBL6277192 0.76 ALOX15 (0.48) VKORC1ALOX15MAOAMGAMGAA
SCHEMBL6277198 0.76 ALOX15 (0.48) VKORC1ALOX15MAOAMGAMGAA
SCHEMBL6271643 0.76 ALOX15 (0.54) VKORC1ALOX15MAOAMGAMGAA

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
Send feedback