SCHEMBL28514512

SCHEMBL28514512

CCCCCCCCCCCCCCCC(=O)NC(COCc1ccccc1)C(=O)O.CCCCCCl

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.54
FOLH1 Q04609 1/20 0.52
LPAR1 Q92633 3/20 0.49
LPAR3 Q9UBY5 2/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PPARA Q07869 1/20 0.48
NOD1 Q9Y239 1/20 0.47
EPHX2 P34913 1/20 0.47

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
SCHEMBL28526228 0.94 FAAH (0.60) FAAHFOLH1LPAR1LPAR3ITGB3
SCHEMBL28526224 0.94 FAAH (0.60) FAAHFOLH1LPAR1LPAR3ITGB3
SCHEMBL28517232 0.83 FAAH (0.50) FAAHLPAR1LPAR3ITGB3ITGA2B
SCHEMBL28517231 0.83 FAAH (0.50) FAAHLPAR1LPAR3ITGB3ITGA2B
SCHEMBL28514511 0.82 FAAH (0.47) FAAHFOLH1LPAR1LPAR3MEN1
SCHEMBL18630185 0.81 FAAH (0.48) FAAHLPAR1LPAR3ITGB3ITGA2B
SCHEMBL27932795 0.79 FOLH1 (0.61) FOLH1KMT2APPARA
SCHEMBL27932798 0.79 FOLH1 (0.61) FOLH1KMT2APPARA
SCHEMBL13030121 0.79 CERT1 (0.60) LPAR1LPAR3MEN1KMT2AEPHX2
SCHEMBL4057815 0.78 FAAH (0.57) FAAHITGB3ITGA2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112341354-B PMS synthesis method 湖北泓肽生物科技有限公司 2022-06-10 CN claimed
CN-112341354-A PMS synthesis method 湖北泓肽生物科技有限公司 2021-02-09 CN claimed
CN-112341354-B PMS synthesis method 湖北泓肽生物科技有限公司 2022-06-10 CN disclosed
CN-112341354-A PMS synthesis method 湖北泓肽生物科技有限公司 2021-02-09 CN disclosed