Sugi Predict

Sugi Predict / Compounds / Methane

Methane

Methane

SCHEMBL8556905

C.NC(N)(CS(=O)(=O)O)C(=O)O

nearest known ligand 0.33

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NOS2 P35228 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SLC6A6 P31641 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ BLM P54132 1/20 0.31

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
SCHEMBL9987195 0.75 ALDH1A1 (0.33) ALDH1A1L3MBTL1NOS2LMNASLC6A6
SCHEMBL63185 0.73 NOS2 (0.49) ALDH1A1L3MBTL1NOS2CYP2C19BLM
SCHEMBL63144 0.73 NOS2 (0.49) ALDH1A1L3MBTL1NOS2CYP2C19BLM
SCHEMBL63003 0.73 NOS2 (0.49) ALDH1A1L3MBTL1NOS2CYP2C19BLM
SCHEMBL2910118 0.70 ALDH1A1 (0.36) ALDH1A1L3MBTL1CYP2C19
SCHEMBL2910123 0.70 ALDH1A1 (0.36) ALDH1A1L3MBTL1CYP2C19
SCHEMBL27599834 0.69 CYP1A2 (0.46) ALDH1A1CYP2C19
SCHEMBL2908082 0.67 MEN1 (0.57) ALDH1A1LMNA
SCHEMBL2908085 0.67 MEN1 (0.57) ALDH1A1LMNA
SCHEMBL6555692 0.67 ELANE (0.37) ALDH1A1L3MBTL1NOS2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 — — EP disclosed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 — — WO disclosed