SCHEMBL9446005

SCHEMBL9446005

C[C@H](NCc1ccccc1CP(=O)(O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.42
▸ ACP3 P15309 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ CD274 Q9NZQ7 4/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ANPEP P15144 1/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL9446007 1.00 NR4A2 (0.42) NR4A2ACP3TSHRCD274MAPK1
SCHEMBL5035394 0.80 ACP3 (0.45) ACP3TSHRMAPK1
SCHEMBL29242881 0.78 POLB (0.58) NR4A2TSHRMAPK1KDM4E
SCHEMBL6243532 0.78 POLB (0.58) NR4A2TSHRMAPK1KDM4E
SCHEMBL6239035 0.78 KDM4E (0.60) NR4A2CD274KDM4E
SCHEMBL7139605 0.78 KDM4E (0.60) NR4A2CD274KDM4E
SCHEMBL6245180 0.78 POLB (0.58) NR4A2TSHRMAPK1KDM4E
SCHEMBL7144643 0.78 KDM4E (0.60) NR4A2CD274KDM4E
SCHEMBL9445919 0.77 MEP1B (0.49) ACP3CD274
SCHEMBL9445921 0.77 MEP1B (0.49) ACP3CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5179085-A Cerebrovascular disorders WARNER-LAMBERT COMPANY (US) 1993-01-12 — — US disclosed
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