SCHEMBL9860623

SCHEMBL9860623

CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 3/20 0.57
▸ ICAM1 P05362 3/20 0.57
▸ ITGAL P20701 3/20 0.57
▸ SLC15A2 Q16348 1/20 0.52
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ SLC6A5 Q9Y345 1/20 0.51
▸ REN P00797 2/20 0.50
▸ CYP3A4 P08684 2/20 0.49
▸ SLC7A5 Q01650 1/20 0.49
▸ ACE2 Q9BYF1 1/20 0.48
▸ MME P08473 1/20 0.45
▸ ECE1 P42892 1/20 0.45
▸ QPCT Q16769 1/20 0.45
▸ QPCTL Q9NXS2 1/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ AGTR2 P50052 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
SCHEMBL20397513 0.90 ITGB2 (0.50) ITGB2ICAM1ITGALSLC15A2CA1
SCHEMBL15683044 0.89 ITGB2 (0.64) ITGB2ICAM1ITGALSLC15A2CA1
SCHEMBL468830 0.89 ITGB2 (0.64) ITGB2ICAM1ITGALSLC15A2CA1
SCHEMBL6026427 0.89 ITGB2 (0.64) ITGB2ICAM1ITGALSLC15A2CA1
Water SCHEMBL8680774 0.88 ITGB2 (0.63) ITGB2ICAM1ITGALSLC15A2CA1
SCHEMBL30656637 0.85 ITGB2 (0.53) ITGB2ICAM1ITGALSLC15A2CA1
SCHEMBL308989 0.84 ITGB2 (0.59) ITGB2ICAM1ITGALSLC15A2CA1
SCHEMBL1229751 0.84 ITGB2 (0.59) ITGB2ICAM1ITGALSLC15A2CA1
SCHEMBL1161012 0.84 ITGB2 (0.59) ITGB2ICAM1ITGALSLC15A2CA1
SCHEMBL11559043 0.84 ITGB2 (0.59) ITGB2ICAM1ITGALSLC15A2CA1

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
WO-2023139608-A1 Synergistic Compositions For Enhancing TFEB-Mediated Intracellular Clearance Celagenex Research (India) Pvt. Ltd. (IN) 2023-07-27 — — WO disclosed
US-4994457-A Piroxicam, 5'-guanylic acid, and(or) N-acetyl-L-methionine PFIZER INC. (US) 1991-02-19 — — US disclosed
EP-0218453-B1 IMPROVED ANTIINFLAMMATORY COMPOSITIONS AND METHODS PFIZER INC. (US) 1990-01-03 — — EP disclosed
EP-0218453-A1 Improved antiinflammatory compositions and methods PFIZER INC. (US) 1987-04-15 — — EP disclosed
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