SCHEMBL29384614

SCHEMBL29384614

O=C(OO)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ F2 P00734 2/20 0.43
▸ FABP5 Q01469 3/20 0.43
▸ FABP7 O15540 2/20 0.43
▸ KLK7 P49862 1/20 0.42
▸ KLK5 Q9Y337 1/20 0.42
▸ PREP P48147 3/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CTRB1 P17538 1/20 0.39
▸ FKBP1A P62942 1/20 0.39
▸ EPHX2 P34913 1/20 0.39

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
SCHEMBL15083158 0.89 PDK2 (0.45) ALDH1A1SMN1; SMN2F2FABP5FABP7
SCHEMBL15803221 0.89 PDK2 (0.45) ALDH1A1SMN1; SMN2F2FABP5FABP7
SCHEMBL14417972 0.88 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2F2KMT2ATSHR
SCHEMBL29503800 0.88 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2F2FABP5FABP7
SCHEMBL29549607 0.88 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2F2FABP5FABP7
SCHEMBL119560 0.88 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2F2FABP5FABP7
SCHEMBL29349958 0.88 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2F2FABP5FABP7
SCHEMBL1002927 0.88 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2F2FABP5FABP7
SCHEMBL118354 0.88 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2F2FABP5FABP7
SCHEMBL29378245 0.88 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2F2FABP5FABP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114014912-B Method for preparing leuprorelin by combining solid phase and liquid phase 浙江湃肽生物有限公司南京分公司 2022-03-29 — — CN disclosed
CN-114014912-A Method for preparing leuprorelin by combining solid phase and liquid phase 浙江湃肽生物有限公司南京分公司 2022-02-08 — — CN disclosed
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