SCHEMBL29087369

SCHEMBL29087369

Cc1cc(C2(NC(=O)CCl)CCN(C(=O)OCc3ccccc3)C2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 0.45
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ CTSD P07339 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ ACACB O00763 1/20 0.41
▸ PTGDR2 Q9Y5Y4 5/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ ATXN2 Q99700 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HDAC8 Q9BY41 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
SCHEMBL30702488 0.92 RORC (0.45) RORCHDAC1HDAC6HDAC3HDAC2
SCHEMBL29087387 0.87 RORC (0.54) RORCHDAC1HDAC6HDAC3HDAC2
SCHEMBL30702529 0.84 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC2ACACB
SCHEMBL30702528 0.84 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC2ACACB
SCHEMBL29087350 0.81 RORC (0.51) RORCACACBPTGDR2MCHR1OPRD1
SCHEMBL29087343 0.80 RORC (0.50) RORCACACBPTGDR2MCHR1OPRD1
SCHEMBL29087337 0.80 HDAC1 (0.48) RORCHDAC1HDAC6HDAC3HDAC2
Hydrochloric Acid SCHEMBL29087316 0.79 RORC (0.49) RORCACACBPTGDR2MCHR1OPRD1
SCHEMBL29087318 0.79 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC2PTGDR2
SCHEMBL31559321 0.78 HDAC1 (0.42) RORCHDAC1HDAC6HDAC3HDAC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4288414-A1 SUBSTITUTED CYCLIC MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME Rappta Therapeutics Oy (FI) 2023-12-13 — — EP disclosed
CN-116806217-A Substituted cyclic modulators of protein phosphatase 2A (PP 2A) and methods of use thereof 拉帕塔疗法公司 2023-09-26 — — CN disclosed
WO-2022167867-A1 SUBSTITUTED CYCLIC MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 — — WO disclosed
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