SCHEMBL28070223

SCHEMBL28070223

CCCC(C)(CCC)OCCO

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MAPK1 P28482 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL17677470 0.81
SCHEMBL5961057 0.80 TSHR (0.37) TSHRALDH1A1MEN1THRBHTT
SCHEMBL7961127 0.79 ALDH1A1 (0.39) TSHRALDH1A1MEN1THRBHTT
SCHEMBL16366770 0.78 ALDH1A1 (0.35) TSHRALDH1A1CYP4F2CYP4A11
SCHEMBL5831694 0.78
SCHEMBL19306476 0.78 ACHE (0.34) CYP4F2CYP4A11
SCHEMBL8531703 0.77 TSHR (0.39) TSHRALDH1A1MEN1THRBHTT
SCHEMBL30151492 0.77 TSHR (0.39) TSHRALDH1A1MEN1THRBHTT
SCHEMBL7031496 0.76 TSHR (0.35) TSHRALDH1A1MEN1KMT2ACYP4F2
SCHEMBL18974247 0.75

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
CN-103571499-B Crystal aligning agent, liquid crystal orienting film and liquid crystal display cells JSR CO., LTD. (JP) 2016-05-04 CN disclosed