SCHEMBL748993

SCHEMBL748993

CC1CCOC(c2ccccc2)(c2ccccc2CO)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR1A P08908 3/20 0.35
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
OPRM1 P35372 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
SCHEMBL750050 0.86 ADRA1A (0.37) HTR1AADRA1DADRA1AADRA1BCHRNB2
SCHEMBL750279 0.85 HTR1A (0.41) HTR1AADRA1DADRA1AADRA1BCHRM2
SCHEMBL749002 0.84 HTR1A (0.42) HTR1AADRA1DADRA1AADRA1B
SCHEMBL751256 0.83 HTR1A (0.40) HTR1AADRA1DADRA1AADRA1B
SCHEMBL3415742 0.82 HTR1A (0.41) HTR1AADRA1DADRA1AADRA1B
SCHEMBL749632 0.81 HTR1A (0.39) HTR1AADRA1DADRA1AADRA1B
SCHEMBL3413055 0.80 HTR1A (0.40) HTR1AADRA1DADRA1AADRA1B
SCHEMBL749623 0.80 HTR1A (0.38) HTR1AADRA1DADRA1AADRA1B
SCHEMBL751251 0.79 HTR1A (0.39) HTR1AADRA1DADRA1AADRA1B
SCHEMBL3416217 0.79 HTR1A (0.31) HTR1AADRA1DADRA1AADRA1BCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152812-B1 DEGASSING COMPOSITIONS FOR CURABLE COATINGS TROY TECHNOLOGY CORP INC (US) 2012-03-21 EP claimed
US-7842745-B2 Degassing compositions for curable coatings TROY CORPORATION (US) 2010-11-30 US claimed
US-20100204373-A1 Degassing compositions for curable coatings TROY CORPORATION 2010-08-12 US claimed
US-7842745-B2 Degassing compositions for curable coatings TROY CORPORATION (US) 2010-11-30 US disclosed
US-20100204373-A1 Degassing compositions for curable coatings TROY CORPORATION 2010-08-12 US disclosed