SCHEMBL7129528

SCHEMBL7129528

COc1ccc(C(=O)c2ccc(OC)c(S(=O)(=O)O)c2O)c(O)c1.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
RAB9A P51151 2/20 0.61
LMNA P02545 6/20 0.55
HPGD P15428 5/20 0.55
CYP3A4 P08684 4/20 0.55
CYP2C19 P33261 3/20 0.55
CYP1A2 P05177 2/20 0.55
PGR P06401 2/20 0.55
SLC6A2 P23975 2/20 0.55
ADORA3 P0DMS8 1/20 0.55
AR P10275 1/20 0.55
CHRM1 P11229 1/20 0.55
ALOX15 P16050 1/20 0.55
TBXA2R P21731 1/20 0.55
ADRA1A P35348 1/20 0.55
HIF1A Q16665 1/20 0.55
MAPK1 P28482 5/20 0.50
ALDH1A1 P00352 5/20 0.50
HTT P42858 3/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL8427070 0.99 NPC1 (0.63) NPC1RAB9ALMNAHPGDCYP3A4
SCHEMBL4384097 0.88 MAPT (0.47) NPC1RAB9ALMNAHPGDCYP3A4
SCHEMBL9762530 0.87 NPC1 (0.65) NPC1RAB9ALMNAHPGDCYP3A4
SCHEMBL3226016 0.86 MAPT (0.49) NPC1RAB9ALMNAHPGDCYP3A4
SCHEMBL7129526 0.86 NPC1 (0.60) NPC1RAB9ALMNAHPGDCYP3A4
SCHEMBL8428996 0.83 LMNA (0.51) LMNAHPGDCYP3A4CYP2C19CYP1A2
SCHEMBL8429130 0.82 MAPT (0.63) NPC1RAB9ALMNAHPGDCYP3A4
Sulfuric Acid SCHEMBL9740504 0.82 NPC1 (0.86) NPC1RAB9ALMNAHPGDCYP3A4
SCHEMBL6054787 0.81 MAPT (0.64) NPC1RAB9ALMNAHPGDCYP3A4
SCHEMBL345162 0.81 MAPT (0.64) NPC1RAB9ALMNAHPGDCYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579826-B2 Having a crosslinked polymer layer including an ultraviolet absorbing structure, e.g. containing a benzotriaxole moiety; protective coatings; durability; using a coloring reaction of an electron donating leuko dye with an electron acceptor RICOH COMPANY LIMITED (JP) 2003-06-17 US disclosed
US-6524377-B2 Phenolic electron accepting color developer and electron donating coloring agent such as leuco dye; achieves color on heating; erasure on cooling; durability; reusable RICOH COMPANY, LTD. (JP) 2003-02-25 US disclosed
US-6503868-B2 Phenolic electron accepting color developer and electron donating coloring agent; leuco dye; achieves color on heating; erasure on cooling; durability; reusable RICOH COMPANY, LTD. (JP) 2003-01-07 US disclosed
US-20020072472-A1 Reversible thermosensitive recording medium and image forming and erasing method using the recording medium RICOH COMPANY LIMITED (JP) 2002-06-13 US disclosed
US-20010039243-A1 Reversible thermosensitive coloring composition and recording material using the composition and recording method using the recording material TORII MASAFUMI (JP) 2001-11-08 US disclosed
US-20010025587-A1 Reversible thermosensitive coloring composition and recording material using the composition and recording method using the recording material TORII MASAFUMI (JP) 2001-10-04 US disclosed
US-6207613-B1 ELECTRON ACCEPTING COLOR DEVELOPER INCLUDES A PHENOLIC COMPOUND RICOH COMPANY, LTD. (JP) 2001-03-27 US disclosed