SCHEMBL9124415

SCHEMBL9124415

O=C(Nc1ccc(Sc2ccc(NC(=O)OC3CCCCC3)cc2-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1)OC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.52
▸ FAAH O00519 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ NR1I3 Q14994 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MIF P14174 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
SCHEMBL12166518 0.81 FAAH (0.57) MGLLFAAHMEN1KMT2AMAPT
SCHEMBL9128019 0.78 MGLL (0.83) MGLLFAAHMEN1KMT2AMAPT
SCHEMBL9126526 0.77 MEN1 (0.45) MGLLFAAHMEN1KMT2AMAPT
SCHEMBL9126391 0.76 TNIK (0.49) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL9125545 0.75 FAAH (0.47) MGLLFAAHMEN1KMT2AMAPT
SCHEMBL9122885 0.75 ALDH1A1 (0.52) MEN1KMT2AMAPTCYP1A2LMNA
SCHEMBL9125166 0.73 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHDAC1HDAC2HTT
SCHEMBL9124291 0.73 AGPAT2 (0.42) MGLLMEN1KMT2AALDH1A1
SCHEMBL9128109 0.73 PORCN (0.52) MEN1KMT2AMAPTCYP1A2SMN1; SMN2
SCHEMBL9127384 0.73 MAPT (0.48) MEN1KMT2AMAPTSMN1; SMN2LMNA

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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