SCHEMBL27599592

SCHEMBL27599592

CC(C)=CCC/C(C)=C/Cc1c(O)c2ccc(OCCO)cc2oc1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VKORC1 Q9BQB6 2/20 0.62
▸ ALOX15 P16050 4/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NDUFS8 O00217 1/20 0.49
▸ COXFA4 O00483 1/20 0.49
▸ NDUFAB1 O14561 1/20 0.49
▸ NDUFA1 O15239 1/20 0.49
▸ NDUFS4 O43181 1/20 0.49
▸ NDUFB5 O43674 1/20 0.49
▸ NDUFB3 O43676 1/20 0.49
▸ NDUFC1 O43677 1/20 0.49
▸ NDUFA2 O43678 1/20 0.49
▸ NDUFS5 O43920 1/20 0.49
▸ NDUFS7 O75251 1/20 0.49
▸ NDUFS2 O75306 1/20 0.49
▸ NDUFS6 O75380 1/20 0.49
▸ NDUFB1 O75438 1/20 0.49
▸ NDUFS3 O75489 1/20 0.49
▸ NDUFB6 O95139 1/20 0.49

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
SCHEMBL27582360 0.95 VKORC1 (0.61) VKORC1ALOX15TDP1KDM4ENDUFS8
SCHEMBL27599715 0.92 VKORC1 (0.62) VKORC1ALOX15TDP1KDM4ENDUFS8
SCHEMBL27582364 0.92 VKORC1 (0.58) VKORC1KDM4EALDH1A1MAPTHPGD
SCHEMBL27489471 0.90 VKORC1 (0.67) VKORC1ALOX15TDP1KDM4ENDUFS8
SCHEMBL27442812 0.87 VKORC1 (0.67) VKORC1NQO1MAOBMAOAALOX5
SCHEMBL6277123 0.87 ALOX15 (0.54) VKORC1ALOX15TDP1KDM4ENDUFS8
SCHEMBL6277116 0.87 ALOX15 (0.54) VKORC1ALOX15TDP1KDM4ENDUFS8
SCHEMBL27582309 0.87 VKORC1 (0.61) VKORC1ALOX15TDP1KDM4ENDUFS8
SCHEMBL27582335 0.85 VKORC1 (0.56) VKORC1KDM4EALDH1A1MAPTHPGD
SCHEMBL27599534 0.83 VKORC1 (0.58) VKORC1TDP1L3MBTL1NQO1MGAM

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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