SCHEMBL29452755

SCHEMBL29452755

CCOC(=O)C(NC(=O)c1cnc(-c2cccc(-c3cc(C(=O)NC(C4CC4)C4CC4)n(CCO)n3)c2)o1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.34
▸ PHGDH O43175 3/20 0.34
▸ AVPR1B P47901 2/20 0.33
▸ SLC8A1 P32418 2/20 0.33
▸ POLB P06746 4/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MME P08473 2/20 0.33
▸ MMEL1 Q495T6 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL23052223 1.00 FAAH (0.34) FAAHPHGDHAVPR1BSLC8A1POLB
SCHEMBL23052233 0.96 FAAH (0.34) FAAHPHGDHAVPR1BSLC8A1POLB
SCHEMBL23052232 0.96 FAAH (0.34) FAAHPHGDHAVPR1BSLC8A1POLB
SCHEMBL23052279 0.94 ALDH1A1 (0.34) FAAHPHGDHAVPR1BSLC8A1POLB
SCHEMBL29452671 0.94 ALDH1A1 (0.34) FAAHPHGDHAVPR1BSLC8A1POLB
SCHEMBL28722775 0.94 PHGDH (0.34) PHGDHAVPR1BPOLBMMEKDM4E
SCHEMBL23052228 0.94 PHGDH (0.34) PHGDHAVPR1BPOLBMMEKDM4E
SCHEMBL23041524 0.91 MME (0.37) PHGDHMMEMMEL1
SCHEMBL23041526 0.91 MME (0.37) PHGDHMMEMMEL1
SCHEMBL23051947 0.90 FAAH (0.34) FAAHPHGDHAVPR1BSLC8A1POLB

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-114341132-A Substituted 1, 3-phenylheteroaryl derivatives and their use in the treatment of diseases 诺华股份有限公司 2022-04-12 — — CN disclosed
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