SCHEMBL29818725

SCHEMBL29818725

CCc1cc(C=O)c(OC)c(C)c1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ ERN1 O75460 3/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ SRC P12931 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TUBB1 Q9H4B7 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL26908544 0.89 ALDH1A1 (0.33) PRKDCALDH1A1CYP1A2CYP2C19CA1
SCHEMBL26908519 0.87 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2C19CA1CA2
SCHEMBL29818618 0.77 ALDH1A1 (0.37) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL17916372 0.75 CA1 (0.44) ALDH1A1KDM4ETSHRTDP1CYP1A2
SCHEMBL29818609 0.73 ALDH1A1 (0.33) ALDH1A1ERN1LMNASRCSMN1; SMN2
SCHEMBL27297143 0.72 ALDH1A1 (0.42) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL1635784 0.72 ALDH1A1 (0.57) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL10119938 0.72 PTGS2 (0.52) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL29818684 0.71 CA1 (0.44) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL7048608 0.71 PTGS2 (0.47) PRKDCALDH1A1KDM4ETSHRTDP1

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
Send feedback