SCHEMBL28348492

SCHEMBL28348492

CC(C)(C)OC(=O)c1cccc(C(C)(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.53
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
NPSR1 Q6W5P4 1/20 0.41
ALOX12 P18054 1/20 0.40
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
EGFR P00533 1/20 0.35
AR P10275 2/20 0.35
SLC7A5 Q01650 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
SCHEMBL28465355 0.84 CA2 (0.55) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL12988542 0.84 TSHR (0.42) CA2NPSR1TSHRALDH1A1TDP1
SCHEMBL6236051 0.83 CA2 (0.39) CA2GABRA1GABRB2TSHRALDH1A1
SCHEMBL8678161 0.82 LMNA (0.44) CA2ALOX12TSHRALDH1A1TDP1
SCHEMBL29058056 0.81 CA2 (0.38) CA2GABRA1GABRB2TSHRALDH1A1
SCHEMBL28236597 0.81 LMNA (0.52) CA2TSHRALDH1A1POLBMAPT
SCHEMBL6577373 0.80 GRM6 (0.43) CA2TSHRALDH1A1TDP1MAPT
SCHEMBL30638079 0.78 CA2 (0.61) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL6851744 0.78 CA2 (0.61) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL39311 0.78 CA2 (0.61) CA2GABRA1GABRB2NPSR1ALOX12

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-115012235-B Efficient salt-resistant low-foam dispersion leveling agent and application thereof 绍兴海成化工有限公司 2023-03-14 CN disclosed
CN-115012235-A Efficient salt-resistant low-foam dispersion leveling agent and application thereof 绍兴海成化工有限公司 2022-09-06 CN disclosed
CN-110552215-A High-temperature leveling agent for terylene and blended fabric thereof ZHEJIANG HAPPY CHEMICAL CO LTD 2019-12-10 CN disclosed