SCHEMBL9124306

SCHEMBL9124306

CC(C)(c1ccc(O)cc1)c1ccc(NC(=O)OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.60
▸ KMT2A Q03164 6/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ MAPT P10636 4/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CYP1A2 P05177 3/20 0.50
▸ CYP2D6 P10635 3/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ GAA P10253 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ POLB P06746 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ CYP2C9 P11712 1/20 0.44
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43

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
SCHEMBL9127049 0.88 MEN1 (0.53) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL9128215 0.88 MEN1 (0.61) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL9125031 0.87 SMN1; SMN2 (0.59) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL9126885 0.83 HPGD (0.57) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL9126736 0.83 LMNA (0.51) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL9127385 0.82 MAPT (0.57) MEN1KMT2ASMN1; SMN2MAPTCYP2D6
SCHEMBL9126174 0.82 MAPT (0.57) MEN1KMT2ASMN1; SMN2MAPTCYP2D6
SCHEMBL9127194 0.81 MEN1 (0.52) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL31043715 0.81 MEN1 (0.55) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL9126361 0.80 MEN1 (0.52) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT

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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