SCHEMBL28654419

SCHEMBL28654419

CC(C)(C)OC(=O)[C@H](CCCCNC(=O)Cc1ccc(O)cc1)NC(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 18/20 0.56
▸ NAALAD2 Q9Y3Q0 2/20 0.52

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
SCHEMBL19743083 0.90 FOLH1 (0.51) FOLH1
SCHEMBL19743084 0.90 FOLH1 (0.51) FOLH1
SCHEMBL28662801 0.87 FOLH1 (0.65) FOLH1
SCHEMBL30205419 0.83 TRPV1 (0.43) FOLH1
SCHEMBL4327953 0.82 FOLH1 (0.83) FOLH1
SCHEMBL19743134 0.82 FOLH1 (0.50) FOLH1
SCHEMBL19743135 0.82 FOLH1 (0.50) FOLH1
SCHEMBL19743079 0.81 ALB (0.52) FOLH1
SCHEMBL19743081 0.81 ALB (0.52) FOLH1
SCHEMBL19360806 0.81 FOLH1 (0.70) FOLH1NAALAD2

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
CN-113548986-B Sulfonyl fluoride compound and application thereof 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) 2023-05-23 — — CN disclosed
CN-113548986-A Sulfonyl fluoro-compound and application thereof 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) 2021-10-26 — — CN disclosed
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