SCHEMBL9126526

SCHEMBL9126526

O=C(Nc1cc(Sc2ccc(-c3ccc(O)cc3)c(NC(=O)OC3CCCCC3)c2)ccc1-c1ccc(O)cc1)OC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ CHRM3 P20309 11/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ MIF P14174 1/20 0.37
▸ CHRM2 P08172 2/20 0.36
▸ CHRM1 P11229 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9126047 0.85 HDAC1 (0.45) MEN1KMT2ACYP1A2CYP3A4MAPT
SCHEMBL9128338 0.78 KDM4E (0.43) MEN1KMT2ACYP1A2MAPTNPC1
SCHEMBL9124415 0.77 MGLL (0.52) MEN1KMT2ACYP1A2CYP3A4MAPT
SCHEMBL9125545 0.75 FAAH (0.47) MEN1KMT2ACYP1A2CYP3A4MAPT
SCHEMBL9123560 0.75 TRPV1 (0.49) MEN1KMT2ACYP1A2MAPTNPC1
SCHEMBL12166518 0.72 FAAH (0.57) MEN1KMT2ACYP1A2CYP3A4MAPT
SCHEMBL9126042 0.72 FAAH (0.49) MEN1KMT2ACYP1A2CYP3A4MAPT
SCHEMBL10015123 0.72 CHRM3 (0.76) FAAHMGLLCHRM3
SCHEMBL9124014 0.71 MAPT (0.39) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9128019 0.71 MGLL (0.83) MEN1KMT2ACYP1A2CYP3A4MAPT

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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