SCHEMBL30337427

SCHEMBL30337427

CCCCC(=O)NC(CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HLCS P50747 3/20 0.58
▸ TDP1 Q9NUW8 5/20 0.56
▸ FOLH1 Q04609 6/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ IDE P14735 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ RIN1 Q13671 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CNR1 P21554 1/20 0.47
▸ CAPN1 P07384 2/20 0.47
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46

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
SCHEMBL6159219 0.97 HLCS (0.60) HLCSTDP1FOLH1MEN1ABL1
SCHEMBL5817718 0.95 HLCS (0.63) HLCSTDP1FOLH1MEN1ABL1
SCHEMBL5804916 0.95 TDP1 (0.61) HLCSTDP1FOLH1MEN1ABL1
SCHEMBL30800274 0.95 TDP1 (0.61) HLCSTDP1FOLH1MEN1ABL1
SCHEMBL515856 0.94 HLCS (0.64) HLCSTDP1FOLH1MEN1ABL1
SCHEMBL5821183 0.94 HLCS (0.64) HLCSTDP1FOLH1MEN1ABL1
SCHEMBL2456107 0.94 HLCS (0.64) HLCSTDP1FOLH1MEN1ABL1
SCHEMBL31065870 0.89 HLCS (0.58) HLCSTDP1FOLH1MEN1ABL1
SCHEMBL3962036 0.87 TDP1 (0.56) HLCSTDP1FOLH1MEN1ABL1
SCHEMBL15353872 0.87 TDP1 (0.64) HLCSTDP1FOLH1MEN1ABL1

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-115916832-A Method for site-specific conjugation of glycosylated Fc domain containing proteins 詹森生物科技公司 2023-04-04 — — CN disclosed
Send feedback