SCHEMBL28690004

SCHEMBL28690004

COc1ccc2c(c1)O[C@H](c1ccc(O)cc1)CC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 1.00
MAOB P27338 8/20 0.85
CYP3A4 P08684 1/20 0.85
TUBB4A P04350 1/20 0.73
TUBB P07437 1/20 0.73
YES1 P07947 1/20 0.73
TUBA3C P0DPH7 1/20 0.73
TUBA1B P68363 1/20 0.73
TUBA4A P68366 1/20 0.73
TUBB4B P68371 1/20 0.73
TUBB3 Q13509 1/20 0.73
TUBB2A Q13885 1/20 0.73
TUBB8 Q3ZCM7 1/20 0.73
TUBA3E Q6PEY2 1/20 0.73
TUBA1A Q71U36 1/20 0.73
ESR2 Q92731 1/20 0.73
TUBA1C Q9BQE3 1/20 0.73
TUBB6 Q9BUF5 1/20 0.73
TUBB2B Q9BVA1 1/20 0.73
TUBB1 Q9H4B7 1/20 0.73

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
SCHEMBL29371778 1.00 CYP19A1 (1.00) CYP19A1MAOBCYP3A4TUBB4ATUBB
SCHEMBL31028354 0.92 CYP19A1 (0.86) CYP19A1MAOBCYP3A4TUBB4ATUBB
SCHEMBL7195893 0.92 CYP19A1 (0.86) CYP19A1MAOBCYP3A4TUBB4ATUBB
Liquiritigenin Dimethyl Ether SCHEMBL13394438 0.92 CYP19A1 (1.00) CYP19A1MAOBCYP3A4MAPT
Liquiritigenin Dimethyl Ether SCHEMBL3303937 0.92 CYP19A1 (1.00) CYP19A1MAOBCYP3A4MAPT
SCHEMBL13394439 0.88 MAOB (1.00) CYP19A1MAOBCYP3A4
SCHEMBL1895399 0.88 MAOB (1.00) CYP19A1MAOBCYP3A4MAPT
Liquirtigenin SCHEMBL718387 0.88 CYP19A1 (0.89) CYP19A1MAOBCYP3A4TUBB4ATUBB
SCHEMBL131515 0.88 MAOB (1.00) CYP19A1MAOBCYP3A4MAPT
SCHEMBL30335258 0.88 CYP19A1 (1.00) CYP19A1MAOBCYP3A4

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
CN-111170979-B Preparation method of bioactive compound (S) -4' -hydroxy-7-methoxy flavanone in Zhangzhou narcissus 厦门大学 2022-02-08 CN claimed
CN-111170979-B Preparation method of bioactive compound (S) -4' -hydroxy-7-methoxy flavanone in Zhangzhou narcissus 厦门大学 2022-02-08 CN disclosed
CN-111170979-B Preparation method of bioactive compound (S) -4' -hydroxy-7-methoxy flavanone in Zhangzhou narcissus 厦门大学 2022-02-08 CN disclosed
CN-111170979-B Preparation method of bioactive compound (S) -4' -hydroxy-7-methoxy flavanone in Zhangzhou narcissus 厦门大学 2022-02-08 CN disclosed