SCHEMBL31421846

SCHEMBL31421846

CN([C@@H](Cc1ccccc1)C(=O)NCC(=O)O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.53
▸ MME P08473 7/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ ECE1 P42892 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ NPEPPS P55786 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL22872309 0.81 CYP1A2 (0.48) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL20849755 0.78 MAPT (0.46) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL20849762 0.78 MAPT (0.46) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL10692461 0.75 MME (0.52) ACEMMEALDH1A1ECE1MAPT
SCHEMBL31653922 0.75 ACE (0.47) ACEMMEALDH1A1ECE1MAPT
SCHEMBL31421920 0.74 ACE (0.56) ACEMMEALDH1A1ECE1MAPT
SCHEMBL5540459 0.74 CYP3A4 (0.69) ACEMMEALDH1A1ECE1MAPT
SCHEMBL10447979 0.74 MME (0.81) ACEMMEALDH1A1ECE1MAPT
SCHEMBL7319115 0.73 MME (0.50) ACEMMEALDH1A1ECE1MAPT
SCHEMBL11805463 0.72 ACE (0.69) ACEMMEALDH1A1ECE1MAPT

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
Send feedback