SCHEMBL28630338

SCHEMBL28630338

Cn1cccc1CC(=O)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
RECQL P46063 5/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 8/20 0.48
KDM4E B2RXH2 5/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 3/20 0.46
NPC1 O15118 1/20 0.45
GFER P55789 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL867896 0.86 ALDH1A1 (0.53) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9
SCHEMBL14665139 0.83 ALDH1A1 (0.47) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9
SCHEMBL14828743 0.79 ALDH1A1 (0.53) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9
SCHEMBL687742 0.78 ALDH1A1 (0.49) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9
SCHEMBL6217005 0.77 ALDH1A1 (0.48) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9
SCHEMBL2828704 0.76 RECQL (0.55) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9
SCHEMBL7477617 0.76 ALDH1A1 (0.47) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9
SCHEMBL14664143 0.74 MAPT (0.50) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9
SCHEMBL2755870 0.74 SMN1; SMN2 (0.67) ALDH1A1CYP1A2CYP2C19CYP2C9RAB9A
Acetic Acid SCHEMBL30330510 0.73 RAB9A (0.49) ALDH1A1RECQLCYP1A2CYP2C19CYP2C9

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
CN-116790536-B Bud ketone methyltransferases EnEMT and EnEMT from lithocarpus erythropolis and genes and applications thereof 中国科学院昆明植物研究所 2024-06-04 CN disclosed
CN-116790536-A Bud ketomethyltransferases EnEMT1 and EnEMT2 from lithocarpus erythropolis, and genes and applications thereof 中国科学院昆明植物研究所 2023-09-22 CN disclosed
CN-116790525-A Kelvin synthase EnES, gene and application thereof 中国科学院昆明植物研究所 2023-09-22 CN disclosed
CN-116790525-A Kelvin synthase EnES, gene and application thereof 中国科学院昆明植物研究所 2023-09-22 CN disclosed
CN-113307884-B Tropinone biosynthesis fusion protein and application and method thereof 西南大学 2022-04-29 CN disclosed
CN-113307884-A Tropinone biosynthesis fusion protein and application and method thereof 西南大学 2021-08-27 CN disclosed