SCHEMBL9715182

SCHEMBL9715182

O=C(O)CN(CCC(=O)N1CCOCC1)CCN(CCN(CCC(=O)N1CCOCC1)CC(=O)O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 1/20 0.46
▸ TSHR P16473 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ POLB P06746 2/20 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
SCHEMBL5866044 0.88 TSHR (0.52) FKBP1ATSHRLMNATDP1ALOX15
SCHEMBL8893857 0.88 TSHR (0.52) FKBP1ATSHRLMNATDP1ALOX15
SCHEMBL8893554 0.80 TDP1 (0.43) FKBP1ATSHRLMNATDP1ALOX15
SCHEMBL21679696 0.79 TSHR (0.54) FKBP1ATSHRLMNAALOX15CYP2C19
SCHEMBL8893538 0.79 TDP1 (0.42) FKBP1ATSHRLMNATDP1ALOX15
SCHEMBL4297789 0.76 POLB (0.58) FKBP1ATSHRLMNAALOX15L3MBTL1
SCHEMBL3074341 0.76 FKBP1A (0.49) FKBP1ATSHRLMNAALOX15L3MBTL1
SCHEMBL30272382 0.75 TSHR (0.53) FKBP1ATSHRLMNAALOX15CYP2C19
SCHEMBL13551384 0.75 TDP1 (0.40) TSHRLMNATDP1ALOX15CYP2C19
SCHEMBL13551378 0.74 TDP1 (0.39) TSHRLMNATDP1ALOX15CYP2C19

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
EP-0518985-A1 IMPROVEMENTS IN AND RELATING TO MAGNETIC RESONANCE IMAGING. UNIV CALIFORNIA (US) 1992-12-23 — — EP disclosed
WO-1991014186-A1 IMPROVEMENTS IN AND RELATING TO MAGNETIC RESONANCE IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-09-19 — — WO disclosed
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