SCHEMBL4913102

SCHEMBL4913102

CCCCOCC[C](C)CCOCCCC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
CYP3A4 P08684 2/20 0.48
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CES2 O00748 1/20 0.41
HPGD P15428 1/20 0.41
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ATM Q13315 1/20 0.34
USP2 O75604 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL9171484 0.86 HTT (0.54) TSHRMEN1THRBHTTKMT2A
SCHEMBL9253957 0.84 TSHR (0.56) TSHRCYP3A4MEN1THRBHTT
SCHEMBL27863031 0.80 TSHR (0.52) TSHRCYP3A4MEN1THRBHTT
SCHEMBL6883385 0.80 TSHR (0.52) TSHRCYP3A4MEN1THRBHTT
SCHEMBL8130691 0.80 TSHR (0.52) TSHRCYP3A4MEN1THRBHTT
SCHEMBL8239907 0.80 CES2 (0.54) TSHRCYP3A4MEN1THRBHTT
Methyl Alcohol SCHEMBL2390958 0.80 TSHR (0.72) TSHRCYP3A4MEN1THRBHTT
Hydrogen Peroxide SCHEMBL28446111 0.80 TSHR (0.72) TSHRCYP3A4MEN1THRBHTT
SCHEMBL8600029 0.80 TSHR (0.71) TSHRCYP3A4MEN1THRBHTT
SCHEMBL15167 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080230753-A1 COLOR FILTER INK, COLOR FILTER, IMAGE DISPLAY, AND ELECTRONIC APPARATUS SEIKO EPSON CORPORATION (JP) 2008-09-25 US disclosed