SCHEMBL30903302

SCHEMBL30903302

CC(C)(C)CC[C@H](NC(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.51
▸ GRN P28799 3/20 0.46
▸ SORT1 Q99523 3/20 0.46
▸ PYGL P06737 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ MME P08473 1/20 0.38
▸ NAALAD2 Q9Y3Q0 1/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38

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
Hydrochloric Acid SCHEMBL30168116 0.98 RIPK1 (0.50) RIPK1GRNSORT1PYGLCYP2C9
SCHEMBL30168114 0.87 RIPK1 (0.47) RIPK1GRNSORT1TSHR
SCHEMBL30219105 0.86 RIPK1 (0.51) RIPK1GRNSORT1
SCHEMBL30219049 0.86 RIPK1 (0.51) RIPK1GRNSORT1
Hydrochloric Acid SCHEMBL30219092 0.85 RIPK1 (0.50) RIPK1GRNSORT1
SCHEMBL30219101 0.84 CTSL (0.50) RIPK1GRNSORT1
SCHEMBL30219112 0.84 CTSL (0.50) RIPK1GRNSORT1
SCHEMBL30219068 0.82 RIPK1 (0.46) RIPK1GRNSORT1PYGLCYP2C9
SCHEMBL30219104 0.82 RIPK1 (0.46) RIPK1GRNSORT1PYGLCYP2C9
SCHEMBL27165633 0.82 RIPK1 (0.46) RIPK1GRNSORT1PYGLCYP2C9

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
CN-118019533-A 2-Amino-5, 5-dimethylhexanoic acid derivatives as sortilin modulators for the treatment of central nervous system diseases 因苏森斯有限公司 2024-05-10 — — CN claimed
CN-118019533-A 2-Amino-5, 5-dimethylhexanoic acid derivatives as sortilin modulators for the treatment of central nervous system diseases 因苏森斯有限公司 2024-05-10 — — CN disclosed
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