SCHEMBL9125831

SCHEMBL9125831

COc1ccc(COC(=O)Nc2ccc(C(C)(C)c3ccc(O)c(C)c3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.47
▸ HTT P42858 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ ESR1 P03372 1/20 0.43
▸ NR2F2 P24468 1/20 0.43
▸ KLKB1 P03952 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42
▸ UBA2 Q9UBT2 1/20 0.42
▸ MIF P14174 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 2/20 0.41

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
SCHEMBL9126532 0.82 ESR1 (0.54) SMN1; SMN2L3MBTL1ALDH1A1HTTCYP1A2
SCHEMBL3034797 0.80 MIF (0.60) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9128215 0.79 MEN1 (0.61) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9126885 0.76 HPGD (0.57) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3039464 0.76 ALDH1A1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL3039448 0.76 ALDH1A1 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL9124306 0.76 MEN1 (0.60) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9125031 0.75 SMN1; SMN2 (0.59) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11235640 0.75 ALDH1A1 (0.56) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9127049 0.75 MEN1 (0.53) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1

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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