SCHEMBL28006010

SCHEMBL28006010

[CH2]CC(C)(CCC)OC(=O)C(=C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 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
SCHEMBL1108011 0.90 TSHR (0.41) TSHRALDH1A1THRBLMNAHSD17B10
SCHEMBL23494134 0.87 TSHR (0.39) TSHRALDH1A1THRBLMNAHSD17B10
SCHEMBL21542084 0.82 GAA (0.43) ALDH1A1LMNAHSD17B10GAA
SCHEMBL28391673 0.80 TSHR (0.49) TSHRALDH1A1THRB
SCHEMBL28126902 0.79 TSHR (0.47) TSHRALDH1A1THRBGAA
SCHEMBL441489 0.79 TSHR (0.41) TSHRALDH1A1THRBLMNAHSD17B10
SCHEMBL15840353 0.78 TSHR (0.33) TSHRALDH1A1THRB
SCHEMBL1108024 0.78 TSHR (0.43) TSHRALDH1A1THRBGAA
SCHEMBL27987630 0.77 TSHR (0.33) TSHRTHRB
SCHEMBL328594 0.76 TSHR (0.44) TSHRALDH1A1THRBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109820621-A A kind of composite artificial cornea and preparation method thereof 广州锐澄医疗技术有限公司 2019-05-31 CN claimed
CN-109820621-A A kind of composite artificial cornea and preparation method thereof 广州锐澄医疗技术有限公司 2019-05-31 CN disclosed
CN-102460221-B Biomedical devices BAUSCH & LOMB 2015-04-01 CN disclosed