SCHEMBL19656609

SCHEMBL19656609

CC(C)(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 2/20 0.52
CASP3 P42574 2/20 0.52
RAB9A P51151 2/20 0.52
SENP8 Q96LD8 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP6 Q9GZR1 2/20 0.52
PLA2G1B P04054 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL25858113 0.89 ALDH1A1 (0.52) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL19934339 0.89 ALDH1A1 (0.52) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL30421958 0.89 ALDH1A1 (0.52) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL21215242 0.89 ALDH1A1 (0.52) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL19773711 0.87 ALDH1A1 (0.50) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL19633155 0.86 NPC1 (0.41) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL19632744 0.86 NPC1 (0.41) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL24184260 0.83 ALDH1A1 (0.44) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL25646996 0.83 PDK2 (0.49) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL31072311 0.82 NPC1 (0.42) ALDH1A1NPC1CASP3RAB9ASENP8

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-20170346032-A1 ORGANIC LIGHT-EMITTING DIODE (OLED) DISPLAY PANEL, FABRICATION METHOD AND ELECTRONIC DEVICE THEREOF WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-11-30 US disclosed