SCHEMBL17274875

SCHEMBL17274875

CCC(C)CC(c1ccccc1O)(c1ccccc1O)c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
GRIN1 Q05586 6/20 0.35
GRIN2A Q12879 6/20 0.35
GRIN2D O15399 5/20 0.35
GRIN2C Q14957 5/20 0.35
GRIN2B Q13224 4/20 0.35
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
ALOX15 P16050 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HKDC1 Q2TB90 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
SCHEMBL16196450 0.82 TSHR (0.43) TSHRALDH1A1TDP1HDAC4HDAC2
SCHEMBL29372814 0.76 TSHR (0.56) TSHRALDH1A1TDP1GABRA1GABRB2
SCHEMBL505600 0.76 TSHR (0.56) TSHRALDH1A1TDP1GABRA1GABRB2
SCHEMBL27676988 0.73 ALDH1A1 (0.72) TSHRALDH1A1TDP1HDAC4HDAC2
SCHEMBL5831906 0.72 TSHR (0.52) TSHRALDH1A1TDP1GABRA1GABRB2
SCHEMBL28837033 0.72 GRIN1 (0.46) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL2695318 0.72 TSHR (0.52) TSHRALDH1A1TDP1HDAC4HDAC2
SCHEMBL5994442 0.72 TSHR (0.52) TSHRALDH1A1TDP1HDAC4HDAC2
SCHEMBL1160386 0.69 ESR1 (0.47) TSHRALDH1A1TDP1HPGDHSD17B10
SCHEMBL1554734 0.69 TSHR (0.31) TSHRALDH1A1TDP1GRIN1GRIN2A

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
EP-3145996-A1 POLYMERS WITH MODIFIED SURFACE PROPERTIES AND METHOD OF MAKING THE SAME Invista Technologies S.à r.l. (CH) 2017-03-29 EP disclosed
WO-2015179616-A1 POLYMERS WITH MODIFIED SURFACE PROPERTIES AND METHOD OF MAKING THE SAME INVISTA NORTH AMERICA S.A.R.L. (US) 2015-11-26 WO disclosed