SCHEMBL31045407

SCHEMBL31045407

CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CI)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.40
▸ MAP1LC3B Q9GZQ8 3/20 0.37
▸ FURIN P09958 4/20 0.36
▸ HTT P42858 1/20 0.34
▸ SIRT2 Q8IXJ6 3/20 0.33
▸ SIRT1 Q96EB6 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPY1R P25929 1/20 0.32
▸ NPY2R P49146 1/20 0.32
▸ NPY4R P50391 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ OPRK1 P41145 1/20 0.32

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
SCHEMBL31045324 1.00 FAP (0.40) FAPMAP1LC3BFURINHTTSIRT2
SCHEMBL21883412 0.93 FURIN (0.42) FAPMAP1LC3BFURINHTTSIRT2
SCHEMBL22432743 0.93 FAP (0.40) FAPMAP1LC3BFURINHTTSIRT2
SCHEMBL22138625 0.93 FAP (0.40) FAPMAP1LC3BFURINHTTSIRT2
SCHEMBL23943282 0.93 FAP (0.40) FAPMAP1LC3BFURINHTTSIRT2
SCHEMBL25450085 0.93 FAP (0.40) FAPMAP1LC3BFURINHTTSIRT2
SCHEMBL24916473 0.93 FURIN (0.42) FAPMAP1LC3BFURINHTTSIRT2
SCHEMBL24224636 0.93 FAP (0.40) FAPMAP1LC3BFURINHTTSIRT2
SCHEMBL16946352 0.93 FAP (0.40) FAPMAP1LC3BFURINHTTSIRT2
SCHEMBL27197502 0.93 FAP (0.40) FAPMAP1LC3BFURINHTTSIRT2

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
EP-4673474-A2 ANTI-PSMA ANTIBODIES, CONJUGATES, AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2026-01-07 — — EP disclosed
WO-2024182569-A2 ANTI-PSMA ANTIBODIES, CONJUGATES, AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2024-09-06 — — WO disclosed
Send feedback