SCHEMBL9124308

SCHEMBL9124308

C=CCc1ccc(COC(=O)Nc2ccc(OCCOc3ccc(O)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.50
▸ TP53 P04637 2/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ ADRB3 P13945 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ MIF P14174 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TGM2 P21980 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL3034797 0.76 MIF (0.60) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL8943028 0.75 APP (0.59) MAPTTP53SMN1; SMN2TSHRMEN1
SCHEMBL9737615 0.75 APP (0.59) MAPTTP53SMN1; SMN2TSHRMEN1
SCHEMBL8928026 0.75 SMN1; SMN2 (0.58) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL9127021 0.73 CNR1 (0.58) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL1870929 0.72 POLB (0.71) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL9126056 0.72 MEN1 (0.46) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL16759768 0.72 ALDH1A1 (0.50) MAPTTP53SMN1; SMN2TSHRLMNA
SCHEMBL30693812 0.71 TP53 (0.66) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL30693776 0.71 TP53 (0.66) MAPTTP53SMN1; SMN2NPC1RAB9A

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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