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SCHEMBL7757769

SCHEMBL7757769

CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc([Bi](c2ccc(S(=O)(=O)N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc2S(=O)(=O)N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)c2ccc(S(=O)(=O)N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc2S(=O)(=O)N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)c(S(=O)(=O)N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ DUT P33316 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ SERPINE1 P05121 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ RECQL P46063 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
SCHEMBL8571742 0.84 VCAM1 (0.37) VCAM1NPSR1L3MBTL1ALDH1A1LMNA
SCHEMBL7757228 0.82 ALDH1A1 (0.45) VCAM1L3MBTL1ALDH1A1TSHRDUT
SCHEMBL1978010 0.76 SMN1; SMN2 (0.37) VCAM1NPSR1ALDH1A1LMNAKDM4E
SCHEMBL7758285 0.74 SMN1; SMN2 (0.53) VCAM1NPSR1ALDH1A1LMNAKDM4E
SCHEMBL1975415 0.70 TSHR (0.35) VCAM1NPSR1L3MBTL1ALDH1A1LMNA
SCHEMBL1975417 0.70 TSHR (0.39) NPSR1L3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL7757793 0.68 TAS2R14 (0.33) ALDH1A1POLBMAPT
SCHEMBL9929247 0.67 NCF1 (0.31) CA12CA1CA2CA9CA14
SCHEMBL2415090 0.67 SIGMAR1 (0.47) L3MBTL1ALDH1A1LMNAKDM4ETSHR
SCHEMBL10351454 0.66 CA2 (0.42) DUTCA12CA1CA2CA9

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
US-5730953-A RADIOGRAPHIC CONTRAST MEDIUM NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-24 — — US claimed
EP-0716091-B1 TRIS(SUBSTITUTED PHENYL)BISMUTH DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2001-03-21 — — EP disclosed
US-5730953-A RADIOGRAPHIC CONTRAST MEDIUM NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-24 — — US disclosed
EP-0716091-A1 TRIS(SUBSTITUTED PHENYL)BISMUTH DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-06-12 — — EP disclosed