SCHEMBL9126992

SCHEMBL9126992

C=CCOc1ccc(OC(=O)Nc2cc(Sc3ccc(-c4ccc(O)cc4)c(NC(=O)Oc4ccc(OCC=C)cc4)c3)ccc2-c2ccc(O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.42
▸ MGAM O43451 4/20 0.42
▸ SI P14410 4/20 0.42
▸ MGAM2 Q2M2H8 4/20 0.42
▸ MAOA P21397 3/20 0.42
▸ MAOB P27338 3/20 0.42
▸ ALDH2 P05091 1/20 0.42
▸ SLC5A1 P13866 1/20 0.36
▸ SLC5A2 P31639 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ GFER P55789 1/20 0.35

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
SCHEMBL9128338 0.88 KDM4E (0.43) GAAMAPTNPC1RAB9AKDM4E
SCHEMBL9123560 0.82 TRPV1 (0.49) GAAMAOBMAPTNPC1RAB9A
SCHEMBL9124014 0.78 MAPT (0.39) GAAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9126990 0.78 GAA (0.41) GAAMGAMSIMGAM2MAOA
SCHEMBL9126684 0.76 NPC1 (0.34) GAAMAOBALDH2MAPTPOLB
SCHEMBL3417786 0.74 NR1H2 (0.50) GAAMGAMSIMGAM2MAOA
SCHEMBL9126997 0.71 RAD51 (0.57) GAASLC5A1SLC5A2MAPTSMN1; SMN2
SCHEMBL9126089 0.70 TRPV1 (0.51) GAAMAOBMAPTNPC1RAB9A
SCHEMBL9125818 0.69 TRPV1 (0.50) GAAMAOBMAPTSMN1; SMN2NPC1
SCHEMBL9124995 0.69 MAPT (0.42) GAAMAPTSMN1; 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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