SCHEMBL28291054

SCHEMBL28291054

CCCC(CC)CCC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
CA2 P00918 5/20 0.46
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC1A1 P43005 1/20 0.41
CA12 O43570 4/20 0.40
CA14 Q9ULX7 4/20 0.40
CA1 P00915 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9606840 0.89 TSHR (0.55) TSHRCA2CYP3A4ATMTDP1
SCHEMBL17526834 0.88 TSHR (0.44) TSHRCA2SLC1A1CA12CA14
SCHEMBL27833079 0.88 CA2 (0.61) TSHRCA2CYP3A4ATMTDP1
SCHEMBL17526968 0.88 TSHR (0.44) TSHRCA2SLC1A1CA12CA14
SCHEMBL17526925 0.88 TSHR (0.48) TSHRCA2CYP3A4ATMTDP1
SCHEMBL17526858 0.88 TSHR (0.48) TSHRCA2CYP3A4ATMTDP1
SCHEMBL15187351 0.86 TSHR (0.46) TSHRCA2SLC1A1CA12CA14
SCHEMBL21052370 0.86 TSHR (0.46) TSHRCA2SLC1A1CA12CA14
SCHEMBL29004685 0.86 TSHR (0.46) TSHRCA2SLC1A1CA12CA14
SCHEMBL15187352 0.86 TSHR (0.46) TSHRCA2SLC1A1CA12CA14

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
CN-109952360-B Quantum dot dispersion, self-luminous photosensitive resin composition, color filter manufactured using the same, and image display device 东友精细化工有限公司 2022-03-22 CN disclosed
CN-109810589-A Light converts resin combination, light conversion layer folds substrate and image display device 东友精细化工有限公司 2019-05-28 CN disclosed