SCHEMBL6009397

SCHEMBL6009397

C[C@H]1COc2c(N3CC4CC4(N)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.69
KDM4E B2RXH2 7/20 0.68
ALDH1A1 P00352 5/20 0.68
HPGD P15428 4/20 0.68
HSD17B10 Q99714 2/20 0.68
ALB P02768 1/20 0.68
HRH3 Q9Y5N1 1/20 0.68
TUBB4A P04350 3/20 0.67
TUBB P07437 3/20 0.67
TUBA3C P0DPH7 3/20 0.67
TUBA1B P68363 3/20 0.67
TUBA4A P68366 3/20 0.67
TUBB4B P68371 3/20 0.67
TUBB3 Q13509 3/20 0.67
TUBB2A Q13885 3/20 0.67
TUBB8 Q3ZCM7 3/20 0.67
TUBA3E Q6PEY2 3/20 0.67
TUBA1A Q71U36 3/20 0.67
TUBA1C Q9BQE3 3/20 0.67
TUBB6 Q9BUF5 3/20 0.67

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
SCHEMBL2670412 0.91 AADAT (0.64) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2670415 0.91 AADAT (0.64) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2670368 0.90 AADAT (0.67) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2670364 0.90 AADAT (0.67) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2670431 0.89 AADAT (0.63) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2670404 0.89 AADAT (0.63) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3979263 0.88 AADAT (0.71) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13576366 0.87 AADAT (0.75) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5785072 0.86 AADAT (0.67) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2670294 0.86 AADAT (0.67) AADATKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924213-B1 PYRIDOBENZOXAZINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2006-06-28 EP disclosed
US-6191129-B1 MICROBIOCIDES, BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-02-20 US disclosed
EP-0924213-A1 PYRIDOBENZOXAZINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-06-23 EP disclosed