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SCHEMBL7689657

SCHEMBL7689657

O=C(O)COCC(=O)N1CCN(C(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)CCN(C(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)CCN(C(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 20/20 0.67
▸ F13A1 P00488 2/20 0.58
▸ TGM1 P22735 2/20 0.58
▸ TGM6 O95932 1/20 0.58

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
SCHEMBL6860647 0.85 TGM2 (0.69) TGM2F13A1TGM1TGM6
SCHEMBL6860643 0.85 TGM2 (0.69) TGM2F13A1TGM1TGM6
SCHEMBL31033062 0.80 TGM2 (1.00) TGM2F13A1TGM1TGM6
SCHEMBL7691840 0.79 GRM5 (0.53) —
SCHEMBL28290510 0.78 ITGB3 (0.61) TGM2F13A1TGM1TGM6
SCHEMBL28290512 0.78 ITGB3 (0.61) TGM2F13A1TGM1TGM6
SCHEMBL2577375 0.78 ITGB3 (0.65) TGM2F13A1TGM1TGM6
SCHEMBL2577379 0.78 ITGB3 (0.65) TGM2F13A1TGM1TGM6
SCHEMBL17007584 0.77 TGM2 (0.83) TGM2F13A1TGM1TGM6
SCHEMBL17007552 0.77 TGM2 (0.83) TGM2F13A1TGM1TGM6

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-0868202-B1 CASCADE POLYMER COMPLEXES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME SCHERING AG (DE) 2002-08-28 — — EP disclosed
US-6057419-A DRUGS AND IMAGES SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 — — US disclosed
US-5874061-A PARAMAGNETIC CONTRAST AGENTS FOR BOTH NUCLEAR SPIN AND COMPUTOR TOMOGRAPHY AND MAGNETIC RESONANCE IMAGING; MARKING VASCULAR SPACE (BLOOD-POOL AGENTS); BIOCOMPATIBILITY; HIGH SIGNAL INTENSITY, THEREFORE A LOWER DOSAGE USED SCHERING AKTIENGESELLSCHAFT (DE) 1999-02-23 — — US disclosed
WO-1999001160-A1 SACCHARIDE CONJUGATES, PHARMACEUTICALS CONTAINING THE SAME, PROCESS FOR PREPARING THE SAME AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1999-01-14 — — WO disclosed