SCHEMBL30867643

SCHEMBL30867643

COC(=O)c1ccc2ccccc2c1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
CFTR P13569 1/20 0.46
CXCR2 P25025 1/20 0.45
LMNA P02545 2/20 0.43
MAPK14 Q16539 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
P2RX1 P51575 1/20 0.42

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
SCHEMBL30867646 0.86 WDR5 (0.46) CXCR2LMNAMAPK14HPGDKDM4E
SCHEMBL3934321 0.82 CXCR2 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11786601 0.78 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5963449 0.76 HPGD (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL254145 0.74 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30867648 0.74 KDM1A (0.40) LMNAMAPK14HPGDKDM4EALDH1A1
SCHEMBL9503911 0.72 CA12 (0.55) CFTRLMNAHPGDKDM4EALDH1A1
SCHEMBL14052468 0.72 BACE1 (0.47) HDAC8HDAC6CFTRLMNAP2RX1
SCHEMBL19808847 0.71 LMNA (0.55) CFTRLMNAKDM4EALDH1A1P2RX3
SCHEMBL1782842 0.70 LMNA (0.69) LMNAMAPK14HPGDKDM4EMAPT

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-114072207-B Bicyclic compounds 维瓦斯治疗公司 2024-03-29 CN disclosed