SCHEMBL4558591

SCHEMBL4558591

C=CCc1ccc([C](C)C)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALOX5 P09917 2/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL4316249 0.80 MAPK1 (0.36) GABRA1GABRB2MEN1KMT2AGAA
SCHEMBL10911271 0.76 MAPK1 (0.37) GABRA1GABRB2MEN1KMT2AMAPK1
SCHEMBL7752469 0.76 GABRA1 (0.52) GABRA1GABRB2MEN1KMT2AGAA
SCHEMBL11759870 0.75 GABRA1 (0.36) GABRA1GABRB2MEN1KMT2AGAA
SCHEMBL10785131 0.74 GABRA1 (0.35) GABRA1GABRB2MEN1KMT2AGAA
Ammonia Solution, Strong SCHEMBL6013986 0.73 CES2 (0.41) MEN1KMT2A
Hydrochloric Acid SCHEMBL20854840 0.72 MEN1 (0.37) GABRA1GABRB2MEN1KMT2AGAA
SCHEMBL1147731 0.72 GABRA1 (0.34) GABRA1GABRB2MEN1KMT2AGAA
SCHEMBL11812251 0.72 CYP3A4 (0.36) GABRA1GABRB2MEN1KMT2AGAA
SCHEMBL251269 0.72 GABRA1 (0.47) GABRA1GABRB2MEN1KMT2AGAA

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
EP-1411913-A4 ANTIMICROBIAL NANOEMULSION COMPOSITIONS AND METHODS UNIV MICHIGAN (US) 2009-09-02 EP disclosed
EP-1411913-A1 ANTIMICROBIAL NANOEMULSION COMPOSITIONS AND METHODS The Regents of the University of Michigan (US) 2004-04-28 EP disclosed
WO-2003000243-A1 ANTIMICROBIAL NANOEMULSION COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2003-01-03 WO disclosed