SCHEMBL28066976

SCHEMBL28066976

CC(C)(C)OOC(=O)c1cccc(C(=O)c2ccccc2)c1C(=O)OOC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
TSHR P16473 1/20 0.61
ELANE P08246 3/20 0.46
MYC P01106 1/20 0.43
AKR1C3 P42330 2/20 0.42
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL29791319 1.00 ALDH1A1 (0.61) ALDH1A1HSD17B10TDP1TSHRELANE
SCHEMBL30186912 0.93 ALDH1A1 (0.63) ALDH1A1HSD17B10TDP1TSHRELANE
SCHEMBL2940838 0.93 ALDH1A1 (0.63) ALDH1A1HSD17B10TDP1TSHRELANE
SCHEMBL2872626 0.89 TSHR (0.51) ALDH1A1HSD17B10TDP1TSHRELANE
SCHEMBL29388336 0.88 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1TSHRELANE
SCHEMBL1815675 0.88 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1TSHRELANE
SCHEMBL2942951 0.85 ALDH1A1 (0.61) ALDH1A1HSD17B10TDP1TSHRELANE
SCHEMBL1158013 0.84 ALDH1A1 (0.59) ALDH1A1HSD17B10TDP1TSHRELANE
SCHEMBL10414422 0.83 ALDH1A1 (0.53) ALDH1A1HSD17B10TDP1TSHRELANE
SCHEMBL20481756 0.82 TSHR (0.50) ALDH1A1HSD17B10TDP1TSHRMAPT

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-114846397-A Method for manufacturing patterned liquid crystal display element 日产化学株式会社 2022-08-02 CN disclosed
CN-105593308-A Polymer composition, and liquid crystal alignment film for horizontal electric field drive-mode liquid crystal display element NISSAN CHEMICAL IND LTD 2016-05-18 CN disclosed