SCHEMBL27582365

SCHEMBL27582365

COc1c(C(=O)O)ccc2oc(=O)c(C/C=C(\C)CCC=C(C)C)c(O)c12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VKORC1 Q9BQB6 1/20 0.56
▸ MGAM O43451 3/20 0.55
▸ GAA P10253 3/20 0.55
▸ SI P14410 3/20 0.55
▸ MGAM2 Q2M2H8 3/20 0.55
▸ SMPD1 P17405 2/20 0.55
▸ APP P05067 4/20 0.52
▸ BACE1 P56817 1/20 0.52
▸ ALOX5 P09917 2/20 0.50
▸ PTGES O14684 1/20 0.50
▸ PTPN1 P18031 2/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ PPARG P37231 2/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ DNMT1 P26358 1/20 0.45
▸ SIRT5 Q9NXA8 1/20 0.45

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
SCHEMBL29142860 0.77 APP (0.58) MGAMGAASIMGAM2SMPD1
SCHEMBL27442812 0.74 VKORC1 (0.67) VKORC1MGAMGAASIMGAM2
SCHEMBL27599668 0.74 VKORC1 (0.54) VKORC1MGAMGAASIMGAM2
SCHEMBL27599671 0.73 VKORC1 (0.59) VKORC1MGAMGAASIMGAM2
SCHEMBL16768172 0.73 VKORC1 (0.97) VKORC1MGAMGAASIMGAM2
SCHEMBL15364199 0.73 MAOB (0.66) MGAMGAAAPPBACE1ALOX5
SCHEMBL15364198 0.73 MAOB (0.66) MGAMGAAAPPBACE1ALOX5
SCHEMBL29569778 0.73 MAOB (0.66) MGAMGAAAPPBACE1ALOX5
SCHEMBL5309688 0.72 VKORC1 (1.00) VKORC1MGAMGAASIMGAM2
SCHEMBL5309695 0.72 VKORC1 (1.00) VKORC1MGAMGAASIMGAM2

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