SCHEMBL28458113

SCHEMBL28458113

Cc1ccccc1NNC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.51
KDM4E B2RXH2 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
P2RX7 Q99572 6/20 0.51
CRHR1 P34998 1/20 0.44
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA5 P08648 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Citric Acid SCHEMBL31082263 0.84 ALDH1A1 (0.48) GAAKDM4ETDP1HPGDLMNA
SCHEMBL27917193 0.82 TSHR (0.46) GAAKDM4EHPGDLMNAALDH1A1
Citric Acid SCHEMBL28458115 0.81 ALDH1A1 (0.46) GAAKDM4ETDP1HPGDLMNA
Citric Acid SCHEMBL27897976 0.80 ALDH1A1 (0.60) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL5802726 0.79 GAA (0.61) GAAKDM4ETDP1P2RX7CRHR1
SCHEMBL5724563 0.79 GAA (0.65) GAAKDM4ETDP1P2RX7CRHR1
Citric Acid SCHEMBL28587369 0.77 ALDH1A1 (0.56) KDM4ETDP1LMNAALDH1A1POLB
Citric Acid SCHEMBL11751504 0.74 NPC1 (0.44) KDM4ELMNAPOLBRAB9AMEN1
Citric Acid SCHEMBL2237856 0.73 ALDH1A1 (0.60) KDM4ELMNAALDH1A1MAPTMEN1
Citric Acid SCHEMBL29049248 0.72 POLB (0.47) GAAKDM4ETDP1LMNAALDH1A1

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-115916215-A Transdermal microdosing delivery of hallucinogen derivatives 长矛治疗股份有限公司 2023-04-04 CN disclosed
CN-115038451-A Multimodal compositions and methods of treatment 阿奎斯蒂弗医疗股份有限公司 2022-09-09 CN disclosed
CN-115003279-A Prodrug compositions and methods of treatment 阿奎斯蒂弗医疗股份有限公司 2022-09-02 CN disclosed
CN-113613650-A Muscarinic acetylcholine receptor subtype 4 antagonists for the treatment of anemia 冷泉港实验室 2021-11-05 CN disclosed
CN-112585690-A System and method for producing individualized individual unit doses containing a pharmaceutically active substance 阿奎斯蒂弗医疗股份有限公司 2021-03-30 CN disclosed
CN-111683653-A Methods and compositions for topical delivery 伊拉斯吹斯制药有限公司 2020-09-18 CN disclosed