SCHEMBL31421920

SCHEMBL31421920

CC(C)(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.56
▸ MME P08473 5/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ ECE1 P42892 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ NPEPPS P55786 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CTSS P25774 5/20 0.48
▸ CTSK P43235 3/20 0.48
▸ CTSL P07711 3/20 0.48
▸ CTSB P07858 2/20 0.48

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
SCHEMBL24764552 0.95 ACE (0.51) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL22059581 0.89 CTSS (0.46) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL22060179 0.85 CTSS (0.44) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL27334432 0.85 RIPK1 (0.46) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL12126314 0.83 ACE (0.60) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL24765349 0.82 CTSS (0.53) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL24765350 0.82 CTSS (0.53) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL24765362 0.82 FCER2 (0.52) ACEMMECTSSCTSKCTSL
SCHEMBL24765361 0.82 FCER2 (0.52) ACEMMECTSSCTSKCTSL
SCHEMBL9223334 0.81 NPSR1 (0.55) ACEMMEALDH1A1MAPTKMT2A

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-119630672-A Camptothecin derivative and conjugate thereof, and preparation method and medical application thereof 一线医药(杭州)有限公司 2025-03-14 — — CN disclosed
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