SCHEMBL28113664

SCHEMBL28113664

CCc1ccccc1C(=O)OC(C)(C)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
ALDH1A1 P00352 6/20 0.42
LMNA P02545 3/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CLCN2 P51788 1/20 0.38
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38

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
SCHEMBL951581 0.87 TSHR (0.46) TSHRALDH1A1LMNAGABRA1GABRB2
SCHEMBL28087118 0.85 TSHR (0.45) TSHRALDH1A1LMNATDP1L3MBTL1
Hydrochloric Acid SCHEMBL29024518 0.84 TSHR (0.43) TSHRALDH1A1LMNAGABRA1GABRB2
SCHEMBL27837381 0.82 TSHR (0.44) TSHRALDH1A1LMNAGABRA1GABRB2
Ethylbenzene SCHEMBL16672448 0.81 TP53 (0.45) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL6464901 0.79 TSHR (0.52) TSHRALDH1A1LMNAGABRA1GABRB2
SCHEMBL739158 0.79 TSHR (0.52) TSHRALDH1A1LMNAGABRA1GABRB2
SCHEMBL28215701 0.78 ADRB2 (0.47) TSHRLMNA
SCHEMBL1532511 0.77 TSHR (0.50) TSHRALDH1A1LMNAGABRA1GABRB2
SCHEMBL156281 0.77 ALDH1A1 (0.66) TSHRALDH1A1LMNAHTTHSD17B10

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
CN-106133604-B Protectant composition and protectant pattern forming method 三菱瓦斯化学株式会社 2019-09-06 CN disclosed
CN-109073782-A Optical element forms composition and its solidfied material 三菱瓦斯化学株式会社 2018-12-21 CN disclosed
CN-107428717-A Resist composition, resist pattern forming method, and polyphenol compound used for same 三菱瓦斯化学株式会社 2017-12-01 CN disclosed
CN-106133604-A Protectant composition and protectant pattern forming method 三菱瓦斯化学株式会社 2016-11-16 CN disclosed