SCHEMBL9448701

SCHEMBL9448701

CN(C)c1ccc(/C=C/C(O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.59
KDM4E B2RXH2 3/20 0.50
APP P05067 5/20 0.49
SLC2A1 P11166 1/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CASP3 P42574 1/20 0.46
CYP1B1 Q16678 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HSD17B3 P37058 1/20 0.46
PTGS1 P23219 1/20 0.45
SNCA P37840 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9448703 1.00 RELA (0.59) RELAKDM4EAPPSLC2A1NPC1
SCHEMBL4631554 0.95 RELA (0.61) RELAKDM4EAPPSLC2A1NPC1
SCHEMBL4631552 0.95 RELA (0.61) RELAKDM4EAPPSLC2A1NPC1
SCHEMBL9448714 0.83 RELA (0.54) RELAKDM4EAPPSLC2A1NPC1
SCHEMBL9448711 0.83 RELA (0.54) RELAKDM4EAPPSLC2A1NPC1
SCHEMBL9349657 0.83 RELA (0.54) RELAKDM4EAPPNPC1RAB9A
SCHEMBL4630827 0.82 KDM4E (0.48) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4630824 0.82 KDM4E (0.48) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8616264 0.77 KDM4E (0.41) KDM4ENPC1RAB9AKCNH2
SCHEMBL9448696 0.77 RELA (0.47) RELAAPPNPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190909-A RECORD MATERIAL UTILIZING A VINYL CARBINOL OR DERIVATIVE THEREOF AS A CHROMOGENIC COMPOUND THE WIGGINS TEAPE GROUP LIMITED (GB) 1993-03-02 US disclosed
EP-0429239-A1 Record material utilising a vinyl carbinol or derivative thereof as a chromogenic compound The Wiggins Teape Group Limited (GB) 1991-05-29 EP disclosed