SCHEMBL688489

SCHEMBL688489

CCCCCCCCCCCCCCCc1c(C(C)(C)C)ccc(O)c1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.45
PTGS2 P35354 3/20 0.40
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
CYP19A1 P11511 1/20 0.40
LMNA P02545 1/20 0.40
SHBG P04278 1/20 0.40
HSPD1 P10809 1/20 0.40

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
SCHEMBL27822394 0.93 HPGD (0.46) TYRESR1TP53HTTKDM4E
SCHEMBL11660171 0.88 TYR (0.49) TYRPTGS2ESR1ADRA2AADORA3
SCHEMBL8891283 0.88 TYR (0.49) TYRPTGS2ESR1ADRA2AADORA3
SCHEMBL11202288 0.88 TYR (0.49) TYRPTGS2ESR1ADRA2AADORA3
SCHEMBL17965869 0.87 TYR (0.45) TYRPTGS2ESR1ADRA2AADORA3
SCHEMBL11239006 0.87 TYR (0.45) TYRPTGS2ESR1ADRA2AADORA3
SCHEMBL28101543 0.87 TYR (0.45) TYRPTGS2ESR1ADRA2AADORA3
SCHEMBL27286159 0.86 ALDH1A1 (0.38) TYRESR1TP53CYP3A4HTT
SCHEMBL29656761 0.84 ALDH1A1 (0.42) TYRPTGS2ESR1TP53CYP3A4
SCHEMBL28411368 0.81 TYR (0.45) TYRPTGS2ESR1ADRA2AADORA3

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
US-9234109-B2 Phase change inks XEROX CORPORATION (US) 2016-01-12 US disclosed
EP-2169016-B1 Phase change inks XEROX CORP (US) 2012-02-29 EP disclosed
US-20100080922-A1 PHASE CHANGE INKS XEROX CORPORATION (US) 2010-04-01 US disclosed
EP-2169016-A1 Phase change inks Xerox Corporation (US) 2010-03-31 EP disclosed