Catechol

Catechol

SCHEMBL27894047

COC(=O)C(CC(C)C)NC=O.Oc1ccccc1O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 3/20 0.47
▸ NOS1 P29475 3/20 0.47
▸ NOS2 P35228 3/20 0.47
▸ TAS1R3 Q7RTX0 7/20 0.45
▸ TAS1R1 Q7RTX1 7/20 0.45
▸ ELANE P08246 2/20 0.43
▸ BIRC2 Q13490 1/20 0.43
▸ ANPEP P15144 1/20 0.43

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
SCHEMBL8609825 0.86 TAS1R3 (0.45) NOS3NOS1NOS2TAS1R3TAS1R1
SCHEMBL8269519 0.86 TAS1R3 (0.45) NOS3NOS1NOS2TAS1R3TAS1R1
Catechol SCHEMBL27911322 0.81 TAS1R3 (0.51) NOS3NOS1NOS2TAS1R3TAS1R1
SCHEMBL27421029 0.78 CTSK (0.55) —
SCHEMBL29159299 0.78 CTSK (0.43) ELANEANPEP
SCHEMBL29159315 0.78 CTSK (0.43) ELANEANPEP
SCHEMBL6467419 0.78 CTSK (0.55) —
SCHEMBL27745748 0.78 CTSK (0.55) —
SCHEMBL3499885 0.74 ATM (0.58) NOS3NOS1NOS2ANPEP
SCHEMBL27925079 0.74 ATM (0.58) NOS3NOS1NOS2ANPEP

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-102924318-B L-leucine derivatives blocking entrance of H5N1 avian influenza virus and preparation method for same UNIV WUHAN 2014-06-04 — — CN claimed
CN-102924318-A L-leucine derivatives blocking entrance of H5N1 avian influenza virus and preparation method for same UNIV WUHAN 2013-02-13 — — CN claimed
CN-102924318-B L-leucine derivatives blocking entrance of H5N1 avian influenza virus and preparation method for same UNIV WUHAN 2014-06-04 — — CN disclosed
CN-102924318-A L-leucine derivatives blocking entrance of H5N1 avian influenza virus and preparation method for same UNIV WUHAN 2013-02-13 — — CN disclosed
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