SCHEMBL17667236

SCHEMBL17667236

c1ccc(-c2ccccc2OCCC2CCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
HTR7 P34969 1/20 0.50
KDM4E B2RXH2 6/20 0.48
ADRB2 P07550 4/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRB1 P08588 2/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL28651880 0.87 TP53 (0.56) TP53MAPK1RAB9AHTR7KDM4E
SCHEMBL17667240 0.84 TP53 (0.47) TP53MAPK1RAB9AHTR7KDM4E
SCHEMBL28647864 0.79 TP53 (0.54) TP53MAPK1RAB9AHTR7KDM4E
SCHEMBL6132017 0.78 TDP1 (0.52) HTTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28237730 0.78 TP53 (0.53) TP53MAPK1RAB9AHTR7KDM4E
SCHEMBL13739595 0.77 TP53 (0.74) TP53MAPK1RAB9AHTR7KDM4E
SCHEMBL28458130 0.77 USP2 (0.52) TP53MAPK1RAB9AHTR7KDM4E
SCHEMBL12676831 0.76 ADRA1D (0.43) TP53RAB9AKDM4EHTTKMT2A
SCHEMBL13740267 0.75 TP53 (0.71) TP53MAPK1RAB9AHTR7KDM4E
SCHEMBL15522001 0.75 TP53 (0.71) TP53MAPK1RAB9AHTR7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9685597-B2 Curable composition for sealing optical semiconductor DAICEL CORPORATION (JP) 2017-06-20 US disclosed
US-20160126431-A1 CURABLE COMPOSITION FOR SEALING OPTICAL SEMICONDUCTOR DAICEL CORPORATION (JP) 2016-05-05 US disclosed
EP-3006481-A1 CURABLE COMPOSITION FOR SEALING OPTICAL SEMICONDUCTOR Daicel Corporation (JP) 2016-04-13 EP disclosed