SCHEMBL29068781

SCHEMBL29068781

C=CCCCCCCCCCCCCCc1ccc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 1/20 0.33
EP300 Q09472 1/20 0.32
KAT2B Q92831 1/20 0.32
KAT5 Q92993 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
ALOX12 P18054 1/20 0.32
TYR P14679 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL29068772 0.83 F7 (0.45) TDP1TYRTSHR
SCHEMBL29170685 0.82 TYR (0.49) ALDH1A1TDP1EP300KAT2BKAT5
SCHEMBL6897662 0.82 TYR (0.49) ALDH1A1TDP1EP300KAT2BKAT5
SCHEMBL1846556 0.82 TYR (0.49) ALDH1A1TDP1EP300KAT2BKAT5
SCHEMBL3709017 0.82 TYR (0.49) ALDH1A1TDP1EP300KAT2BKAT5
SCHEMBL28307750 0.82 TYR (0.49) ALDH1A1TDP1EP300KAT2BKAT5
SCHEMBL30816147 0.82 TYR (0.49) ALDH1A1TDP1EP300KAT2BKAT5
SCHEMBL10413004 0.81 GABRA1 (0.43) CA2ALOX12GAAGABRA1GABRB2
SCHEMBL29068782 0.81 F7 (0.42) TYR
SCHEMBL30697134 0.79 CA2 (0.46) ALDH1A1TDP1CA2ALOX12TYR

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-115418264-B Refrigerator oil composition and preparation method and application thereof 江西苏克尔新材料有限公司 2023-09-12 CN disclosed
CN-115418264-A Refrigerating machine oil composition and preparation method and application thereof 江西苏克尔新材料有限公司 2022-12-02 CN disclosed
CN-115403618-A 2, 6-di-tert-butyl phenol compound and preparation method and application thereof 江西苏克尔新材料有限公司 2022-11-29 CN disclosed