SCHEMBL8902887

SCHEMBL8902887

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.46
▸ PREP P48147 4/20 0.46
▸ F2 P00734 2/20 0.43
▸ TSHR P16473 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ GFER P55789 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
SCHEMBL29413336 0.96 CTRB1 (0.49) CTRB1F2TSHRALDH1A1GAA
SCHEMBL8902510 0.96 CTRB1 (0.49) CTRB1F2TSHRALDH1A1GAA
SCHEMBL30317756 0.96 CTRB1 (0.49) CTRB1F2TSHRALDH1A1GAA
SCHEMBL31501508 0.88 CTRB1 (0.46) CTRB1PREPF2TSHRNPSR1
SCHEMBL29777655 0.88 CTRB1 (0.46) CTRB1PREPF2TSHRNPSR1
SCHEMBL29413333 0.87 CTRB1 (0.46) CTRB1F2TSHRALDH1A1GAA
SCHEMBL9614289 0.87 TACR1 (0.47) CTRB1F2TSHRALDH1A1GAA
SCHEMBL25404019 0.87 CTRB1 (0.48) CTRB1F2TSHRALDH1A1GAA
SCHEMBL29211787 0.87 CTRB1 (0.48) CTRB1F2TSHRALDH1A1GAA
SCHEMBL25404023 0.87 CTRB1 (0.48) CTRB1F2TSHRALDH1A1GAA

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
US-5639859-A Carboxylate protective groups, a process for their preparation, their coupling to a functional group, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-17 — — US disclosed
US-5439806-A Carboxylate protective groups, a process for their preparation, their coupling to a functional group, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-08 — — US disclosed
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