SCHEMBL29098330

SCHEMBL29098330

CC(C)(C)OP(=O)(OC(C)(C)C)c1ccc2c(n1)CC(CCc1ccccc1)N(C(=O)O)C2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ AGTR2 P50052 1/20 0.33
▸ MTNR1B P49286 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ACE P12821 2/20 0.32
▸ NR1D1 P20393 1/20 0.32

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
SCHEMBL29761484 0.93 HDAC8 (0.40) HDAC8PTPN1AGTR2MEN1KMT2A
SCHEMBL24602655 0.93 HDAC8 (0.40) HDAC8PTPN1AGTR2MEN1KMT2A
SCHEMBL29098256 0.88 MEN1 (0.31) MEN1KMT2A
SCHEMBL26631603 0.80 MEN1 (0.38) HDAC8PTPN1MEN1KMT2A
SCHEMBL29098280 0.78 DAGLA (0.36) KCNH2NR1D1
SCHEMBL29761477 0.76 PTPN1 (0.42) HDAC8PTPN1MEN1KMT2A
SCHEMBL24602739 0.76 PTPN1 (0.42) HDAC8PTPN1MEN1KMT2A
SCHEMBL31621648 0.73 PTPN1 (0.44) HDAC8PTPN1MEN1KMT2A
SCHEMBL31621626 0.73 GAA (0.41) HDAC8PTPN1MTNR1BMEN1KMT2A
SCHEMBL29098286 0.73 ACE (0.31) ACE

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
CN-116710440-A Plasmin inhibitor, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2023-09-05 — — CN disclosed
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