SCHEMBL7201367

SCHEMBL7201367

CCCCCCCCCCCCOC(=O)Nc1ccc(Oc2ccc(Oc3ccc(O)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
HPGD P15428 3/20 0.59
MAPT P10636 2/20 0.59
CASP1 P29466 1/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPK1 P28482 1/20 0.59
MCL1 Q07820 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LTA4H P09960 1/20 0.57
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
FAAH O00519 12/20 0.54
TP53 P04637 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
KMT2A Q03164 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL7195879 1.00 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL20302856 0.92 RAB9A (0.64) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL1699197 0.90 SMN1; SMN2 (0.70) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL9124310 0.89 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL7197815 0.89 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL12411578 0.87 RAB9A (0.69) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL10360622 0.85 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL10361283 0.85 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL8391733 0.85 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL8391789 0.85 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 1 patent. 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