SCHEMBL9126047

SCHEMBL9126047

O=C(Nc1cc(Oc2ccc(-c3ccc(O)cc3)c(NC(=O)OC3CCCCC3)c2)ccc1-c1ccc(O)cc1)OC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ FAAH O00519 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ CHRM3 P20309 11/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MIF P14174 1/20 0.38
▸ CHRM2 P08172 2/20 0.37
▸ CHRM1 P11229 2/20 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
SCHEMBL9126526 0.85 MEN1 (0.45) HDAC1HDAC2FAAHMGLLCHRM3
SCHEMBL9126042 0.76 FAAH (0.49) HDAC1HDAC2FAAHMGLLCHRM3
SCHEMBL9126089 0.75 TRPV1 (0.51) CHRM3NPC1RAB9AMEN1KMT2A
SCHEMBL9124995 0.74 MAPT (0.42) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL9125818 0.74 TRPV1 (0.50) FAAHNPC1RAB9AMEN1KMT2A
SCHEMBL12166518 0.73 FAAH (0.57) FAAHMGLLNPC1RAB9AMEN1
SCHEMBL10015123 0.73 CHRM3 (0.76) FAAHMGLLCHRM3
SCHEMBL9124415 0.73 MGLL (0.52) HDAC1HDAC2FAAHMGLLNPC1
SCHEMBL9124295 0.72 SMN1; SMN2 (0.49) CHRM3NPC1RAB9ACYP1A2MAPT
SCHEMBL9128019 0.72 MGLL (0.83) HDAC1HDAC2FAAHMGLLNPC1

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
Send feedback