SCHEMBL29818656

SCHEMBL29818656

CC(C)c1ccc(C=O)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.48
ALDH1A1 P00352 8/20 0.41
ALDH1A3 P47895 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PTGS2 P35354 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2A6 P11509 4/20 0.38
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
AOX1 Q06278 1/20 0.36
TRIM24 O15164 1/20 0.36
HPGD P15428 1/20 0.36
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36

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
SCHEMBL3117644 1.00 TYR (0.48) TYRALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL26908613 0.85 ALDH1A1 (0.39) TYRALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL29818670 0.83 TYR (0.48) TYRALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL26908538 0.83 ALDH1A1 (0.40) TYRALDH1A1ALDH1A3KDM4EPTGS2
SCHEMBL9231758 0.83 TYR (0.52) TYRALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL8031911 0.79 TYR (0.48) TYRALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL10338935 0.79 LMNA (0.50) TYRALDH1A1KDM4ECYP2A6
SCHEMBL29724084 0.79 LMNA (0.50) TYRALDH1A1KDM4ECYP2A6
SCHEMBL605235 0.79 TYR (0.58) TYRALDH1A1TSHRKDM4ERAB9A
SCHEMBL15352436 0.78 ERN1 (0.52) TYRALDH1A1HSP90AA1HSP90AB1HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166867-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-05-23 US disclosed
EP-4286448-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-06 EP disclosed
CN-116940559-A Cyclic diol compound, process for producing the compound, and use of the compound 新日本理化株式会社 2023-10-24 CN disclosed
CN-116829618-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2023-09-29 CN disclosed
WO-2022163674-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME 三菱瓦斯化学株式会社 2022-08-04 WO disclosed
WO-2022163684-A1 CYCLIC DIOL COMPOUND, METHOD FOR PRODUCING SAID COMPOUND, AND USE OF SAID COMPOUND 新日本理化株式会社 2022-08-04 WO disclosed