SCHEMBL2790000

SCHEMBL2790000

CCCCCc1ccc(/C=C/C2(/C=C/c3ccc(CCCCC)cc3)C=CC(c3cccs3)S2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
CYSLTR2 Q9NS75 5/20 0.33
CYSLTR1 Q9Y271 5/20 0.33
TRPM2 O94759 2/20 0.33
TRPA1 O75762 1/20 0.33
PLA2G1B P04054 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.33
THRB P10828 5/20 0.32
THRA P10827 4/20 0.32
TNNC1 P63316 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31

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
SCHEMBL5149137 0.78 ESR1 (0.36) SPHK1LMNARECQLTHRBTHRA
SCHEMBL2790001 0.68 SPHK1 (0.35) SPHK2SPHK1CYSLTR2CYSLTR1TRPM2
SCHEMBL7539291 0.64 CYSLTR2 (0.53) SPHK2SPHK1CYSLTR2CYSLTR1TRPM2
SCHEMBL7539299 0.64 CYSLTR2 (0.53) SPHK2SPHK1CYSLTR2CYSLTR1TRPM2
SCHEMBL2092003 0.63 ESR1 (0.53) SPHK2SPHK1LMNATHRBTHRA
SCHEMBL7537266 0.63 HTR2A (0.54) SPHK2SPHK1CYSLTR2CYSLTR1TRPM2
SCHEMBL2092000 0.63 ESR1 (0.53) SPHK2SPHK1LMNATHRBTHRA
SCHEMBL7537271 0.63 HTR2A (0.54) SPHK2SPHK1CYSLTR2CYSLTR1TRPM2
SCHEMBL8896695 0.63 ESR1 (0.57) SPHK2SPHK1LMNATHRBTHRA
SCHEMBL17160009 0.63 ESR1 (0.57) SPHK2SPHK1LMNATHRBTHRA

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-1933394-B1 Thiophene electronic devices SAMSUNG ELECTRONICS CO LTD (KR) 2019-06-26 EP disclosed
US-7718998-B2 Thiophene electronic devices XEROX CORPORATION (US) 2010-05-18 US disclosed
US-20080146776-A1 Thiophene electronic devices XEROX CORPORATION 2008-06-19 US disclosed
EP-1933394-A2 Thiophene electronic devices Xerox Corporation (US) 2008-06-18 EP disclosed