SCHEMBL2833730

SCHEMBL2833730

Cc1cc(-c2cc(C)c(OCCCC(C)C3CO3)c(C)c2)cc(C)c1OCCCC(C)C1CO1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.36
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1I2 O75469 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL2834983 0.88 HTR1A (0.34) HTR1AALDH1A1
SCHEMBL2833309 0.88 HTR1A (0.37) HTR1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL2830403 0.87 TP53 (0.36) HTR1AALDH1A1MEN1KMT2ANR1I2
SCHEMBL2831123 0.84 SRD5A2 (0.35) ALDH1A1KDM4E
SCHEMBL2836033 0.82
SCHEMBL2832943 0.82 HTR1A (0.32) HTR1ANR1I2CYP3A4CYP2D6
SCHEMBL2828927 0.81 HTR1A (0.32) HTR1ANR1I2CYP3A4CYP2D6THRA
SCHEMBL2831311 0.81 THRB (0.33) HTR1AALDH1A1KDM4ENR1I2CYP3A4
SCHEMBL2836817 0.81 CYP3A4 (0.41) CYP3A4CYP2D6
SCHEMBL2832747 0.78 CYP3A4 (0.32) CYP3A4CYP2D6

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