SCHEMBL29802482

SCHEMBL29802482

CC(C)[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ IDE P14735 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ RIN1 Q13671 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ FOLH1 Q04609 3/20 0.49
▸ CAPN1 P07384 2/20 0.49
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CASP3 P42574 2/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ CASP2 P42575 1/20 0.44
▸ CASP7 P55210 1/20 0.44

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
SCHEMBL29946177 1.00 TDP1 (0.53) TDP1MEN1ABL1LMNAPKM
SCHEMBL14830879 0.91 TDP1 (0.48) TDP1MEN1ABL1LMNAPKM
SCHEMBL5406043 0.89 TDP1 (0.56) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378143 0.86 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL31331945 0.85 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378083 0.85 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL17107771 0.83 TDP1 (0.43) TDP1MEN1ABL1LMNAPKM
SCHEMBL7577396 0.83 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
SCHEMBL2037323 0.82 TDP1 (0.51) TDP1MEN1ABL1LMNAPKM
SCHEMBL319055 0.81 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM

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
US-12133720-B2 Methods and compositions for restoring homeostatic capacity of a subject Palo Alto Investors LP (US) 2024-11-05 — — US disclosed
WO-2022190064-A1 METHODS FOR IDENTIFYING SUBJECTS WITH BETACORONAVIRUS INFECTIONS WHO ARE AT RISK OF ACUTE RESPIRATORY SYNDROME AND METHODS FOR THE TREATMENT OF SAME VEXO PHARMACEUTICALS DMCC (AE) 2022-09-15 — — WO disclosed
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