SCHEMBL29087337

SCHEMBL29087337

O=C(CCl)NC1(c2ccccc2)CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ CTSD P07339 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ CYP2C19 P33261 2/20 0.41
▸ RORC P51449 3/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 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
SCHEMBL2871282 0.88 CTSD (0.59) HDAC1HDAC6HDAC3HDAC2CTSD
SCHEMBL29087387 0.87 RORC (0.54) HDAC1HDAC6HDAC3HDAC2CTSD
SCHEMBL30702488 0.82 RORC (0.45) HDAC1HDAC6HDAC3HDAC2CTSD
SCHEMBL30702551 0.82 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC2OPRD1
SCHEMBL29087369 0.80 RORC (0.45) HDAC1HDAC6HDAC3HDAC2CTSD
SCHEMBL27225766 0.78 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC2OPRD1
SCHEMBL31559321 0.77 HDAC1 (0.42) HDAC1HDAC6HDAC3HDAC2OPRD1
SCHEMBL3024456 0.77 MEN1 (0.51) HDAC1HDAC6HDAC3HDAC2OPRD1
SCHEMBL3024328 0.76 SMN1; SMN2 (0.50) HDAC1HDAC6HDAC3HDAC2OPRD1
SCHEMBL17188016 0.76 HDAC3 (0.50) HDAC1HDAC6HDAC3HDAC2CTSD

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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