SCHEMBL9126042

SCHEMBL9126042

O=C(Nc1cccc(Oc2cccc(NC(=O)OC3CCCCC3)c2-c2ccc(O)cc2)c1-c1ccc(O)cc1)OC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.49
▸ MGLL Q99685 1/20 0.49
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CHRM3 P20309 6/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MIF P14174 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ EPHX1 P07099 1/20 0.37

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
SCHEMBL9125545 0.85 FAAH (0.47) FAAHMGLLHDAC1HDAC2MEN1
SCHEMBL9128019 0.76 MGLL (0.83) FAAHMGLLHDAC1HDAC2MEN1
SCHEMBL9126047 0.76 HDAC1 (0.45) FAAHMGLLHDAC1HDAC2MEN1
SCHEMBL11193941 0.76 KMT2A (0.56) FAAHMGLLHDAC1HDAC2MEN1
SCHEMBL9126084 0.75 TRPV1 (0.55) MEN1KMT2ACYP1A2MAPTNPC1
SCHEMBL12166518 0.75 FAAH (0.57) FAAHMGLLMEN1KMT2ACYP1A2
SCHEMBL9125441 0.74 FAAH (0.50) FAAHMGLLHDAC1HDAC2MEN1
SCHEMBL21059267 0.73 SMN1; SMN2 (0.68) FAAHMGLLKMT2ASMN1; SMN2
SCHEMBL8654596 0.73 FAAH (0.52) FAAHMGLLHDAC1HDAC2MEN1
SCHEMBL8657522 0.73 FAAH (0.52) FAAHMGLLHDAC1HDAC2MEN1

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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