SCHEMBL27599715

SCHEMBL27599715

CC(C)=CCC/C(C)=C/Cc1c(O)c2cc(OCCO)ccc2oc1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VKORC1 Q9BQB6 2/20 0.62
▸ MGAM O43451 4/20 0.52
▸ GAA P10253 4/20 0.52
▸ SI P14410 4/20 0.52
▸ PTPN1 P18031 4/20 0.52
▸ MGAM2 Q2M2H8 4/20 0.52
▸ ALOX15 P16050 4/20 0.48
▸ NQO1 P15559 1/20 0.48
▸ MAOB P27338 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NDUFS8 O00217 1/20 0.47
▸ COXFA4 O00483 1/20 0.47
▸ NDUFAB1 O14561 1/20 0.47
▸ NDUFA1 O15239 1/20 0.47
▸ NDUFS4 O43181 1/20 0.47
▸ NDUFB5 O43674 1/20 0.47
▸ NDUFB3 O43676 1/20 0.47
▸ NDUFC1 O43677 1/20 0.47
▸ NDUFA2 O43678 1/20 0.47

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
SCHEMBL27582309 0.95 VKORC1 (0.61) VKORC1MGAMGAASIPTPN1
SCHEMBL27599592 0.92 VKORC1 (0.62) VKORC1MGAMGAASIPTPN1
SCHEMBL27599534 0.92 VKORC1 (0.58) VKORC1MGAMGAASIPTPN1
SCHEMBL27599542 0.89 VKORC1 (0.56) VKORC1MGAMGAASIPTPN1
SCHEMBL6274277 0.87 MGAM (0.56) VKORC1MGAMGAASIPTPN1
SCHEMBL6274270 0.87 MGAM (0.56) VKORC1MGAMGAASIPTPN1
SCHEMBL27582360 0.87 VKORC1 (0.61) VKORC1MGAMGAASIPTPN1
SCHEMBL27582357 0.85 VKORC1 (0.56) VKORC1MGAMGAASIPTPN1
SCHEMBL27582370 0.83 VKORC1 (0.59) VKORC1MGAMGAASIPTPN1
SCHEMBL27582364 0.83 VKORC1 (0.58) VKORC1GAANQO1MAOBKDM4E

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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