SCHEMBL4637442

SCHEMBL4637442

COc1c(-c2ccc(O)cc2)oc2cc(=O)cc(O)c-2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ POLH Q9Y253 1/20 0.51
▸ ABCB1 P08183 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ MAPT P10636 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GABRP O00591 1/20 0.47
▸ GABRD O14764 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ GABRA1 P14867 1/20 0.47
▸ GABRB1 P18505 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 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
SCHEMBL222227 0.73 CDK5 (0.53) POLBKDM4ECYP3A4CYP2D6APEX1
SCHEMBL219729 0.70 BCL9 (0.49) POLBKDM4ECYP3A4CYP2D6APEX1
3,6-Dimethoxy Kaempferol SCHEMBL30707828 0.69 TUBB4A (0.83) POLBKDM4ECYP3A4CYP2D6APEX1
3,6-Dimethoxy Kaempferol SCHEMBL1156264 0.69 TUBB4A (0.83) POLBKDM4ECYP3A4CYP2D6APEX1
SCHEMBL24994535 0.68 ABCB1 (0.65) POLBKDM4ECYP3A4CYP2D6APEX1
SCHEMBL29782758 0.68 ABCB1 (0.72) POLBKDM4ECYP3A4CYP2D6APEX1
SCHEMBL29782768 0.68 ABCB1 (0.72) POLBKDM4ECYP3A4CYP2D6APEX1
Isokaempferide SCHEMBL1628023 0.68 POLH (1.00) POLBKDM4ECYP3A4CYP2D6APEX1
Isokaempferide SCHEMBL29721227 0.68 POLH (1.00) POLBKDM4ECYP3A4CYP2D6APEX1
SCHEMBL31238141 0.68 KDM4E (0.68) POLBKDM4ECYP3A4CYP2D6APEX1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781235-A4 ANTI-HYPERSENSITIVE INFLAMMATION AND ANTI-ALLERGY ACTIVITIES OF ZINGIBER ZERUMBET (L.) SMITH WHOLESOME LIFE SCIENCE CO LTD (TW) 2008-07-02 — — EP claimed
EP-1781235-A1 ANTI-HYPERSENSITIVE INFLAMMATION AND ANTI-ALLERGY ACTIVITIES OF ZINGIBER ZERUMBET (L.) SMITH Wholesome Life Science Co., Ltd. (TW) 2007-05-09 — — EP claimed
US-20060083799-A1 Anti-hypersensitive inflammation and anti-allergy activities of Zingiber zerumbet (L.) Smith WHOLESOME LIFE SCIENCE CO., LTD. 2006-04-20 — — US claimed
WO-2006020246-A1 ANTI-HYPERSENSITIVE INFLAMMATION AND ANTI-ALLERGY ACTIVITIES OF ZINGIBER ZERUMBET (L.) SMITH LIN TSUNG-CHUNG (US) 2006-02-23 — — WO claimed
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