SCHEMBL27160732

SCHEMBL27160732

N[C@@H]1CN(C(=O)O)C[C@H]1OCc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.46
▸ S1PR1 P21453 3/20 0.41
▸ S1PR5 Q9H228 3/20 0.41
▸ PRKX P51817 1/20 0.41
▸ IKBKE Q14164 1/20 0.41
▸ FFAR1 O14842 1/20 0.39
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ ENPP2 Q13822 3/20 0.36
▸ ATXN2 Q99700 3/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ MGLL Q99685 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ TACR1 P25103 3/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PDGFRA P16234 1/20 0.35

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
SCHEMBL29962387 0.86 IDO1 (0.42) IDO1S1PR1S1PR5PRKXIKBKE
SCHEMBL19411886 0.85 IDO1 (0.48) IDO1S1PR1S1PR5PRKXIKBKE
SCHEMBL27160337 0.82 TEAD1 (0.48) IDO1LIPGTACR1NAAA
SCHEMBL27160506 0.81 IDO1 (0.39) IDO1S1PR1S1PR5PRKXIKBKE
SCHEMBL21723019 0.79 IDO1 (0.44) IDO1S1PR1S1PR5PRKXIKBKE
SCHEMBL27160413 0.78 TEAD1 (0.50) IDO1S1PR1S1PR5PRKXIKBKE
SCHEMBL23149381 0.76 HCRTR1 (0.43) IDO1S1PR1S1PR5PRKXIKBKE
SCHEMBL23850577 0.76 ENPP2 (0.43) IDO1S1PR1S1PR5PRKXIKBKE
SCHEMBL18580674 0.74 AXL (0.42) S1PR1S1PR5
SCHEMBL31308833 0.74 IDO1 (0.49) IDO1S1PR1S1PR5PRKXIKBKE

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
EP-4330253-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATED DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-03-06 — — EP disclosed
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