SCHEMBL20086271

SCHEMBL20086271

C(CCC1CO1)COCCC1CO1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
SPHK2 Q9NRA0 7/20 0.38
SPHK1 Q9NYA1 6/20 0.38
EPHX1 P07099 1/20 0.35
MAPK1 P28482 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
SCHEMBL1984470 0.95 TSHR (0.61) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL3238852 0.93 TSHR (0.58) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL2829331 0.93 TSHR (0.58) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL8768045 0.87 TSHR (0.56) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL25182060 0.87 MEN1 (0.53) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL6314526 0.87 MEN1 (0.53) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL1294405 0.87 MEN1 (0.53) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL20247766 0.86 TSHR (0.78) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL2832820 0.86 TSHR (0.56) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL2829800 0.85 TSHR (0.54) TSHRMEN1KMT2AALDH1A1TDP1

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-20180112121-A1 POLYMERIC COMPOSITIONS AGGLOMERATING COMPOSITIONS, MODIFIED SOLID MATERIALS, AND METHODS FOR MAKING AND USING SAME THE LUBRIZOL CORPORATION 2018-04-26 US disclosed