SCHEMBL10752184

SCHEMBL10752184

COC(=O)CCN(Cc1cccnc1)C(=O)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ LTA4H P09960 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TBXAS1 P24557 7/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NAPRT Q6XQN6 1/20 0.44

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
SCHEMBL14973957 0.83 ALDH1A1 (0.52) PKMALDH1A1LTA4HKMT2AMAPT
SCHEMBL14973956 0.83 ALDH1A1 (0.51) PKMALDH1A1LTA4HKMT2ATRPM8
SCHEMBL10753221 0.81 ALDH1A1 (0.48) PKMALDH1A1LTA4HKMT2ATRPM8
SCHEMBL10972161 0.77 USP2 (0.40) ALDH1A1LTA4HKMT2AMAPT
SCHEMBL14861373 0.77 TDP1 (0.48) ALDH1A1KMT2ANPSR1
SCHEMBL10756619 0.76 ALDH1A1 (0.47) PKMALDH1A1LTA4HKMT2ATRPM8
SCHEMBL2186007 0.76 CHRNB2 (0.54) ALDH1A1KMT2ATRPM8HTTSMN1; SMN2
SCHEMBL10653197 0.75 LTA4H (0.59) LTA4HTBXAS1MAPT
SCHEMBL6642234 0.74 TBXAS1 (0.60) LTA4HKMT2ATBXAS1MAPT
SCHEMBL64891 0.74 TBXAS1 (0.59) ALDH1A1LTA4HTBXAS1NAPRT

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
US-4663319-A LIVER DISORDERS TANABE SEIYSKU CO., LTD. (JP) 1987-05-05 — — US disclosed
EP-0149534-A2 Novel thioketene derivatives and process for the preparation thereof Tanabe Seiyaku Co., Ltd. (JP) 1985-07-24 — — EP disclosed
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