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Tromethamine

Tromethamine

SCHEMBL7102384

CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)c1ccccc1)N1C(=O)N(Cc2ccc(NC(=O)Nc3ccccc3)cc2)C2(CCCCC2)C1=O.NC(CO)(CO)CO

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DHFRGARTPTGFRPTGIRPTGS1PTGS2TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8envmurAthyA

The experimentally established mechanism targets of Tromethamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 11/20 0.34
▸ ITGA4 P13612 11/20 0.34
▸ ITGB3 P05106 3/20 0.33
▸ ITGA2B P08514 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ITGAV P06756 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
Tromethamine SCHEMBL1820256 0.95 ITGB1 (0.41) ITGB1ITGA4
SCHEMBL7107550 0.94 LMNA (0.37) ITGB1ITGA4ITGB3LMNAITGAV
SCHEMBL1820746 0.94 LMNA (0.37) ITGB1ITGA4ITGB3LMNAITGAV
Tromethamine SCHEMBL7100487 0.94 ITGB1 (0.37) ITGB1ITGA4NPC1RAB9AALDH1A1
SCHEMBL7103777 0.94 LMNA (0.37) ITGB1ITGA4ITGB3LMNAITGAV
Tromethamine SCHEMBL7106361 0.91 ITGB1 (0.39) ITGB1ITGA4ITGB3ITGA2BLMNA
SCHEMBL1819547 0.90 LMNA (0.36) ITGB1ITGA4LMNAGAANPC1
SCHEMBL1818334 0.90 LMNA (0.36) ITGB1ITGA4LMNAGAANPC1
Tromethamine SCHEMBL7099740 0.90 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL1820303 0.89 ITGB1 (0.44) ITGB1ITGA4

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-1183241-B1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2003-09-17 — — EP disclosed
US-6399643-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-04 — — US disclosed
EP-1183241-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2002-03-06 — — EP disclosed
WO-2000069831-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-23 — — WO disclosed