SCHEMBL9125545

SCHEMBL9125545

O=C(Nc1cccc(Sc2cccc(NC(=O)OC3CCCCC3)c2-c2ccc(O)cc2)c1-c1ccc(O)cc1)OC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ CHRM3 P20309 5/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CETP P11597 1/20 0.39
▸ MIF P14174 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 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
SCHEMBL9126042 0.85 FAAH (0.49) FAAHMGLLMEN1KMT2ACYP1A2
SCHEMBL9128334 0.77 KMT2A (0.48) FAAHMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9124415 0.75 MGLL (0.52) FAAHMGLLMEN1KMT2ACYP1A2
SCHEMBL9126526 0.75 MEN1 (0.45) FAAHMGLLMEN1KMT2ACYP1A2
SCHEMBL9128019 0.74 MGLL (0.83) FAAHMGLLMEN1KMT2ACYP1A2
SCHEMBL11193941 0.74 KMT2A (0.56) FAAHMGLLMEN1KMT2ACYP1A2
SCHEMBL12166518 0.73 FAAH (0.57) FAAHMGLLMEN1KMT2ACYP1A2
SCHEMBL11088509 0.73 KDM4E (0.49) FAAHMGLLMEN1KMT2ACYP1A2
SCHEMBL9125441 0.72 FAAH (0.50) FAAHMGLLMEN1KMT2ACYP1A2
SCHEMBL9126047 0.71 HDAC1 (0.45) FAAHMGLLMEN1KMT2ACYP1A2

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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