SCHEMBL703625

SCHEMBL703625

CC1(C)CCCC(C)(C)N1O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL27498327 1.00 TSHR (0.39) TSHRNFKB1CYP2C19GAAL3MBTL1
SCHEMBL5346 1.00 TSHR (0.39) TSHRNFKB1CYP2C19GAAL3MBTL1
Water SCHEMBL28630546 0.97 TSHR (0.38) TSHRNFKB1CYP2C19GAAL3MBTL1
Ammonia Solution, Strong SCHEMBL28821907 0.97 TSHR (0.38) TSHRNFKB1CYP2C19GAAL3MBTL1
Hydrochloric Acid SCHEMBL986021 0.97 TSHR (0.38) TSHRNFKB1CYP2C19GAAL3MBTL1
Ammonia Solution, Strong SCHEMBL27842174 0.94 TSHR (0.37) TSHRNFKB1CYP2C19GAAL3MBTL1
SCHEMBL3915903 0.93 GAA (0.36) TSHRNFKB1CYP2C19GAAL3MBTL1
SCHEMBL28609422 0.91 TSHR (0.35) TSHRNFKB1CYP2C19GAAL3MBTL1
SCHEMBL28404925 0.91 TSHR (0.40) TSHRNFKB1CYP2C19GAAL3MBTL1
Hno SCHEMBL27526743 0.91 TSHR (0.40) TSHRNFKB1CYP2C19GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124666-B2 Energy ray-curable ink composition HITACHI MAXELL, LTD. (JP) 2012-02-28 US claimed
EP-2088178-A1 Energy ray-curable ink composition Hitachi Maxell, Ltd. (JP) 2009-08-12 EP claimed
US-20090197988-A1 ENERGY RAY-CURABLE INK COMPOSITION MAXELL, LTD. (JP) 2009-08-06 US claimed
US-8124666-B2 Energy ray-curable ink composition HITACHI MAXELL, LTD. (JP) 2012-02-28 US disclosed
EP-2088178-A1 Energy ray-curable ink composition Hitachi Maxell, Ltd. (JP) 2009-08-12 EP disclosed
US-20090197988-A1 ENERGY RAY-CURABLE INK COMPOSITION MAXELL, LTD. (JP) 2009-08-06 US disclosed