SCHEMBL7197815

SCHEMBL7197815

CCCCCCCCCCCCOC(=O)Nc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.58
RAB9A P51151 7/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
HPGD P15428 3/20 0.58
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 2/20 0.58
CASP1 P29466 1/20 0.58
KDM4E B2RXH2 1/20 0.58
MCL1 Q07820 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 1/20 0.55
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
KMT2A Q03164 1/20 0.52
RELA Q04206 1/20 0.52
PKM P14618 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL9124310 1.00 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL20302856 0.94 RAB9A (0.64) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL1699197 0.90 SMN1; SMN2 (0.70) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL12411578 0.89 RAB9A (0.69) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL7201367 0.89 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL7195879 0.89 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL13387589 0.88 RAB9A (0.72) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL10360622 0.88 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL10361283 0.88 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL8391789 0.88 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2HPGDMAPT

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
US-6596669-B1 Comprising a support and two reversible heat-sensitive recording layers having different colors formed on the same side of the support, comprising colorless electron-donative dye precursor and an electron-accepting compound MITSUBISHI PAPER MILLS LIMITED (JP) 2003-07-22 US disclosed
EP-0648612-B1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1998-06-10 EP disclosed
US-5498772-A SUBSTRATE WITH HEAT SENSITIVE LAYER AND OPTICAL RECORDING LAYER MITSUBISHI PAPER MILLS LIMITED (JP) 1996-03-12 US disclosed
EP-0648612-A1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1995-04-19 EP disclosed