SCHEMBL9066356

SCHEMBL9066356

CCC(CCCC(C)(C)CCCC(CC)OCC1CO1)OCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
HIF1A Q16665 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
SCHEMBL27660715 0.83 ALDH1A1 (0.56) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL240264 0.81 ALDH1A1 (0.50) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL27699147 0.80 ALDH1A1 (0.51) TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL29269134 0.80 ALDH1A1 (0.51) TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL27849547 0.80 ALDH1A1 (0.51) TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL28149469 0.80 ALDH1A1 (0.41) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL10441100 0.80 ALDH1A1 (0.51) TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL28554076 0.80 ALDH1A1 (0.41) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL27484692 0.80 ALDH1A1 (0.41) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL27680724 0.79 ALDH1A1 (0.46) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430209-A2 Resin composition for cast polymerization MITSUBISHI RAYON CO., LTD. (JP) 1991-06-05 EP claimed
EP-0430209-B1 Resin composition for cast polymerization MITSUBISHI RAYON CO (JP) 1996-02-28 EP disclosed
US-5247038-A Optical materials MITSUBISHI RAYON CO., LTD. (JP) 1993-09-21 US disclosed
EP-0430209-A2 Resin composition for cast polymerization MITSUBISHI RAYON CO., LTD. (JP) 1991-06-05 EP disclosed