SCHEMBL8617627

SCHEMBL8617627

O=[N+]([O-])C(OCC(O)CO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.47
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
CYP1A2 P05177 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP2C19 P33261 1/20 0.39
AGTR1 P30556 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL7691385 0.75 GSR (0.42) GSRMEN1KMT2ACYP1A2KDM4E
SCHEMBL435152 0.75 GSR (0.42) GSRMEN1KMT2AKDM4ELMNA
Glycerin SCHEMBL5168442 0.75 GSR (0.50) GSRMEN1KMT2AKDM4ELMNA
SCHEMBL9725051 0.74 MEN1 (0.55) MEN1KMT2ACYP1A2KDM4EAGTR1
SCHEMBL873109 0.74 KDM4E (0.44) GSRMEN1KMT2ACYP1A2KDM4E
SCHEMBL7117064 0.72 GSR (0.40) GSRMEN1KMT2ACYP1A2KDM4E
SCHEMBL27521461 0.72 GSR (0.46) GSRKMT2AKDM4ELMNAALDH1A1
SCHEMBL376375 0.72 GSR (0.44) GSRMEN1KMT2ACYP1A2KDM4E
SCHEMBL16004867 0.71 CASR (0.47) MEN1KMT2ACYP1A2KDM4ECYP2C19
SCHEMBL28046650 0.71 KDM4E (0.42) MEN1KMT2ACYP1A2KDM4ECYP2C19

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
EP-0533954-B1 DIAMINOUREA COMPOUND AND PRODUCTION THEREOF, AND HIGHLY HEAT-RESISTANT POLYURETHANE-UREA AND PRODUCTION THEREOF ASAHI CHEMICAL IND (JP) 1998-05-06 EP disclosed
US-5576410-A REACTION OF DIISOCYANATE, DIOL AND DIAMINO UREA ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1996-11-19 US disclosed
US-5414118-A Reacting a tetraalkyl methanediphenylenediurea with an alkylenediamine ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1995-05-09 US disclosed
EP-0533954-A1 DIAMINOUREA COMPOUND AND PRODUCTION THEREOF, AND HIGHLY HEAT-RESISTANT POLYURETHANE-UREA AND PRODUCTION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1993-03-31 EP disclosed