SCHEMBL2833309

SCHEMBL2833309

Cc1cc(CCc2cc(C)c(OCCCC(C)C3CO3)c(C)c2)cc(C)c1OCCCC(C)C1CO1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.37
S1PR1 P21453 8/20 0.33
S1PR3 Q99500 8/20 0.33
HTR2A P28223 3/20 0.33
HTR7 P34969 3/20 0.33
ADRA1A P35348 2/20 0.33
HTR6 P50406 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 1/20 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
SCHEMBL2834983 0.91 HTR1A (0.34) HTR1AS1PR1S1PR3ALDH1A1
SCHEMBL2833730 0.88 HTR1A (0.36) HTR1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL2830403 0.84 TP53 (0.36) HTR1AMEN1ALDH1A1KMT2A
SCHEMBL2836813 0.84 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL2831164 0.83 HTR1A (0.33) HTR1AS1PR1S1PR3HTR2AHTR7
SCHEMBL2831056 0.83 THRA (0.31) S1PR1KMT2A
SCHEMBL2829232 0.82 S1PR1 (0.34) HTR1AS1PR1S1PR3ALDH1A1
SCHEMBL2831013 0.82 HTR1A (0.33) HTR1AS1PR1S1PR3
SCHEMBL2830421 0.82 CYP3A4 (0.40) MEN1KMT2A
SCHEMBL2832786 0.79 CYP3A4 (0.30)

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-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed