SCHEMBL2829331

SCHEMBL2829331

C(CCC1CO1)COCCOCCCCC1CO1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
SPHK2 Q9NRA0 7/20 0.39
SPHK1 Q9NYA1 6/20 0.39
EPHX1 P07099 1/20 0.37
MAPK1 P28482 1/20 0.32

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 0.97 TSHR (0.61) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL30823981 0.95 TSHR (0.58) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL28910854 0.95 TSHR (0.58) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL3238852 0.95 TSHR (0.58) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL20086271 0.93 TSHR (0.56) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL2829800 0.92 TSHR (0.54) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL8768045 0.90 TSHR (0.56) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL2832820 0.88 TSHR (0.56) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL3620021 0.87 ALDH1A1 (0.59) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL3622865 0.87 ALDH1A1 (0.65) TSHRALDH1A1MEN1KMT2ATDP1

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