SCHEMBL10937092

SCHEMBL10937092

Cc1ncc(C[C@H](NC(=O)[C@H](C)N)C(=O)O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ ITGB2 P05107 1/20 0.39
▸ ICAM1 P05362 1/20 0.39
▸ ITGAL P20701 1/20 0.39
▸ CAPN1 P07384 1/20 0.38
▸ CTRB1 P17538 3/20 0.37
▸ FDPS P14324 1/20 0.37
▸ MME P08473 3/20 0.36
▸ ACE P12821 3/20 0.36
▸ CPA1 P15085 3/20 0.36
▸ ACE2 Q9BYF1 3/20 0.36
▸ SLC15A2 Q16348 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35

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
SCHEMBL1161012 0.78 ITGB2 (0.59) HRH4ITGB2ICAM1ITGALSLC15A2
SCHEMBL308989 0.78 ITGB2 (0.59) HRH4ITGB2ICAM1ITGALSLC15A2
SCHEMBL1229751 0.78 ITGB2 (0.59) HRH4ITGB2ICAM1ITGALSLC15A2
SCHEMBL5292853 0.78 SLC7A5 (0.53) HRH1HRH4FDPS
SCHEMBL26912795 0.78 SLC7A5 (0.53) HRH1HRH4FDPS
SCHEMBL1539194 0.78 SLC7A5 (0.53) HRH1HRH4FDPS
SCHEMBL27469252 0.77 ITGB2 (0.58) HRH4ITGB2ICAM1ITGALSLC15A2
Hydrochloric Acid SCHEMBL28353144 0.77 SLC7A5 (0.51) HRH1HRH4FDPS
SCHEMBL5598732 0.75 GABRR1 (0.47) HRH1HRH4ITGB2ICAM1ITGAL
SCHEMBL31734675 0.75 ACE (0.39) CTRB1MMEACECPA1ACE2

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-4529602-A Sulfodehydroabietic acid compound TANABE SEIYAKU CO., LTD. (JP) 1985-07-16 — — US disclosed
EP-0078152-A1 Salts of sulfodehydroabietic acid and treatment of gastro-intestinal diseases Tanabe Seiyaku Co., Ltd. (JP) 1983-05-04 — — EP disclosed
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