SCHEMBL28722574

SCHEMBL28722574

CC(C)C(NC(=O)c1cnc(-c2cccc(-c3cc(C(=O)N[C@@H](C)C4CC4)n(CCO)n3)c2)o1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 4/20 0.37
▸ PIN1 Q13526 8/20 0.36
▸ MME P08473 2/20 0.36
▸ CSGALNACT1 Q8TDX6 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ DGAT1 O75907 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ GPR132 Q9UNW8 1/20 0.33

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
SCHEMBL23041574 1.00 PHGDH (0.37) PHGDHPIN1MMECSGALNACT1USP30
SCHEMBL23041573 1.00 PHGDH (0.37) PHGDHPIN1MMECSGALNACT1USP30
SCHEMBL23041526 0.94 MME (0.37) PHGDHPIN1MMECSGALNACT1USP30
SCHEMBL23041524 0.94 MME (0.37) PHGDHPIN1MMECSGALNACT1USP30
SCHEMBL23052261 0.94 PHGDH (0.39) PHGDHPIN1MMEUSP30HDAC3
SCHEMBL28721963 0.94 PHGDH (0.39) PHGDHPIN1MMEUSP30HDAC3
SCHEMBL23041596 0.94 PHGDH (0.39) PHGDHPIN1MMEUSP30HDAC3
SCHEMBL23052257 0.94 PHGDH (0.39) PHGDHPIN1MMEUSP30HDAC3
SCHEMBL23052279 0.91 ALDH1A1 (0.34) PHGDH
SCHEMBL29452671 0.91 ALDH1A1 (0.34) PHGDH

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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