SCHEMBL31360651

SCHEMBL31360651

C[C@H](NC(=O)c1cc(F)cc(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.49
▸ MAPT P10636 8/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ RECQL P46063 3/20 0.41
▸ XBP1 P17861 2/20 0.41
▸ NPSR1 Q6W5P4 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MLYCD O95822 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL31360696 0.82 GRN (0.53) MAPTTDP1RECQLXBP1NPSR1
SCHEMBL13702129 0.78 MLYCD (0.55) SLC6A3NPSR1ALDH1A1MEN1KMT2A
SCHEMBL27453160 0.78 MAPT (0.54) MAPTTDP1RECQLNPSR1ALDH1A1
SCHEMBL12151276 0.78 MLYCD (0.49) MAPTTDP1RECQLXBP1NPSR1
SCHEMBL31360472 0.77 CA2 (0.49) SLC6A3ALDH1A1
SCHEMBL2644918 0.77 MAPT (0.44) MAPTTDP1RECQLXBP1NPSR1
SCHEMBL30695664 0.76 SLC6A3 (0.60) SLC6A3MAPTMEN1KMT2AKDM4E
SCHEMBL27467816 0.76 NPC1 (0.47) MAPTTDP1RECQLXBP1NPSR1
SCHEMBL15081388 0.76 SLC6A3 (0.60) SLC6A3MAPTMEN1KMT2AKDM4E
SCHEMBL30571505 0.76 ALDH1A1 (0.50) MAPTRECQLNPSR1ALDH1A1MEN1

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
WO-2025026808-A1 HERBICIDAL ALANINE ANALOGUES BASF SE (DE) 2025-02-06 — — WO disclosed
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