SCHEMBL29087350

SCHEMBL29087350

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 5/20 0.51
▸ ACACB O00763 1/20 0.46
▸ NOS2 P35228 1/20 0.46
▸ PTGDR2 Q9Y5Y4 5/20 0.45
▸ CCR1 P32246 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ ATXN2 Q99700 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41

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
SCHEMBL31567123 0.90 RORC (0.51) RORCNOS2PTGDR2CCR1MEN1
SCHEMBL30702474 0.90 RORC (0.51) RORCNOS2PTGDR2CCR1MEN1
SCHEMBL29087343 0.87 RORC (0.50) RORCACACBPTGDR2MEN1KMT2A
Hydrochloric Acid SCHEMBL29087316 0.86 RORC (0.49) RORCACACBPTGDR2MEN1KMT2A
SCHEMBL27225756 0.85 RORC (0.48) RORCNOS2PTGDR2CCR1MEN1
SCHEMBL29087277 0.85 RORC (0.61) RORCNOS2CCR1MEN1KMT2A
SCHEMBL10566099 0.83 MEN1 (0.53) RORCNOS2CCR1MEN1KMT2A
SCHEMBL29087269 0.82 CCR1 (0.59) RORCNOS2CCR1MEN1KMT2A
SCHEMBL29995706 0.82 NOS2 (0.48) RORCNOS2CCR1MEN1KMT2A
SCHEMBL29087295 0.82 NOS2 (0.48) RORCNOS2CCR1MEN1KMT2A

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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