SCHEMBL18106773

SCHEMBL18106773

O=CCN1CCN(CCS(=O)(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SLC6A6 P31641 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ BLM P54132 1/20 0.30

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
SCHEMBL789961 0.85 PTGS1 (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL2403909 0.85 — —
SCHEMBL14414885 0.85 PTGS1 (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL63679 0.85 PTGS1 (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL25336178 0.83 PTGS1 (0.38) PTGS1PDE4ALMNASLC6A6CYP2C19
Ammonia Solution, Strong SCHEMBL9351921 0.83 PTGS1 (0.38) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL11343102 0.83 PTGS1 (0.38) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL9897194 0.83 PTGS1 (0.38) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL8463674 0.83 PTGS1 (0.38) PTGS1PDE4ALMNASLC6A6CYP2C19
Hydrazine SCHEMBL11671403 0.81 LMNA (0.42) PTGS1PDE4ALMNASLC6A6CYP2C19

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
EP-3075742-B1 HIGH-SELECTIVITY CONTACT ACTIVATION INHIBITOR BASED ON INFESTIN-4 OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYU «GEMATOLOGICHESKAYA KORPORATSIYA» (RU) 2019-04-17 — — EP disclosed
US-10006080-B2 High-selectivity contact activation inhibitor based on infestin-4 OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYU “GEMATOLOGICHESKAYA KORPORATSIYA” (RU) 2018-06-26 — — US disclosed
US-20160376634-A1 HIGH-SELECTIVITY CONTACT ACTIVATION INHIBITOR BASED ON INFESTIN-4 OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYU <<GEMATOLOGICHESKAYA KORPORATSIYA (RU) 2016-12-29 — — US disclosed
EP-3075742-A1 HIGH-SELECTIVITY CONTACT ACTIVATION INHIBITOR BASED ON INFESTIN-4 Obschestvo S Ogranichennoy Otvetstvennostyu «Gematologicheskaya Korporatsiya» (RU) 2016-10-05 — — EP disclosed
Send feedback