SCHEMBL9125166

SCHEMBL9125166

CC(C)COC(=O)Nc1ccc(Sc2ccc(NC(=O)OCC(C)C)cc2-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ LMNA P02545 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ MMP12 P39900 2/20 0.38
▸ MMP13 P45452 2/20 0.38
▸ TNIK Q9UKE5 1/20 0.38
▸ LCK P06239 2/20 0.38
▸ HCK P08631 2/20 0.38
▸ SRC P12931 2/20 0.38
▸ KDR P35968 2/20 0.38

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
SCHEMBL9126391 0.86 TNIK (0.49) SMN1; SMN2LMNATSHRHTTMAPK1
SCHEMBL9126182 0.83 GSK3B (0.39) SMN1; SMN2LMNACSNK2A2CSNK2A1TNIK
SCHEMBL9124291 0.81 AGPAT2 (0.42) MAPK1L3MBTL1ALDH1A1CSNK2A2CSNK2A1
SCHEMBL9124834 0.81 RAB9A (0.47) SMN1; SMN2LMNATSHRMAPK1L3MBTL1
SCHEMBL9124123 0.80 ALDH1A1 (0.46) SMN1; SMN2LMNATSHRHTTL3MBTL1
SCHEMBL9126635 0.77 PTPN1 (0.47) SMN1; SMN2TSHRALDH1A1PTPN1
SCHEMBL9126559 0.76 MAPT (0.48) SMN1; SMN2HTTMAPK1ALDH1A1MMP12
SCHEMBL9122885 0.76 ALDH1A1 (0.52) LMNAALDH1A1
SCHEMBL9128109 0.74 PORCN (0.52) SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL9127384 0.74 MAPT (0.48) SMN1; SMN2LMNAALDH1A1

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-0524419-B1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS (JP) 1995-09-06 — — EP disclosed
US-5391806-A A storage stable chromogens as color-developing agent or stabilizers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-02-21 — — US disclosed
US-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 — — US disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 — — EP disclosed
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