SCHEMBL6379039

SCHEMBL6379039

C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)OC

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 11/20 0.87
▸ NFKB2 Q00653 11/20 0.87
▸ RELA Q04206 11/20 0.87
▸ BCL2L1 Q07817 2/20 0.72
▸ IKBKB O14920 3/20 0.66
▸ PTPN1 P18031 2/20 0.57
▸ F3 P13726 1/20 0.57
▸ PNLIP P16233 1/20 0.57
▸ PTPN2 P17706 1/20 0.57
▸ NOS2 P35228 1/20 0.57
▸ CES2 O00748 2/20 0.56
▸ CES1 P23141 2/20 0.56

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
SCHEMBL17131715 0.81 NFKB1 (0.70) NFKB1NFKB2RELAPTPN1F3
SCHEMBL16152971 0.80 PTPN1 (0.81) NFKB1NFKB2RELAPTPN1F3
SCHEMBL30278367 0.80 PTPN1 (0.81) NFKB1NFKB2RELAPTPN1F3
SCHEMBL18687848 0.80 PTPN1 (0.81) NFKB1NFKB2RELAPTPN1F3
SCHEMBL29552644 0.76 CES2 (0.65) NFKB1NFKB2RELAPTPN1F3
SCHEMBL14240644 0.75 CES2 (0.80) NFKB1NFKB2RELAPTPN1F3
SCHEMBL14226153 0.75 CES2 (0.80) NFKB1NFKB2RELAPTPN1F3
SCHEMBL17166004 0.75 PTPN1 (0.85) NFKB1NFKB2RELAPTPN1F3
SCHEMBL17131713 0.75 PTPN1 (0.64) NFKB1NFKB2RELAPTPN1F3
SCHEMBL18689419 0.74 PTPN1 (0.63) NFKB1NFKB2RELAPTPN1F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024194884-A9 PREPARATION AND PHARMACEUTICAL APPLICATION OF A NOVEL PENTACYCLIC TRITERPENOID SUTHAR SHARAD KUMAR (IN) 2024-11-14 — — WO claimed
WO-2024194884-A1 PREPARATION AND PHARMACEUTICAL APPLICATION OF A NOVEL PENTACYCLIC TRITERPENOID SUTHAR SHARAD KUMAR (IN) 2024-09-26 — — WO claimed
WO-2024194884-A9 PREPARATION AND PHARMACEUTICAL APPLICATION OF A NOVEL PENTACYCLIC TRITERPENOID SUTHAR SHARAD KUMAR (IN) 2024-11-14 — — WO disclosed
WO-2024194884-A9 PREPARATION AND PHARMACEUTICAL APPLICATION OF A NOVEL PENTACYCLIC TRITERPENOID SUTHAR SHARAD KUMAR (IN) 2024-11-14 — — WO disclosed
WO-2024194884-A1 PREPARATION AND PHARMACEUTICAL APPLICATION OF A NOVEL PENTACYCLIC TRITERPENOID SUTHAR SHARAD KUMAR (IN) 2024-09-26 — — WO disclosed
WO-2024194884-A1 PREPARATION AND PHARMACEUTICAL APPLICATION OF A NOVEL PENTACYCLIC TRITERPENOID SUTHAR SHARAD KUMAR (IN) 2024-09-26 — — WO disclosed
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
US-11083748-B2 Zeolite molecular sieves for the removal of toxins FRAMEWORK THERAPEUTICS, LLC (US) 2021-08-10 — — US disclosed
EP-1679962-B1 ZEOLITE MOLECULAR SIEVES FOR THE REMOVAL OF TOXINS FRAMEWORK THERAPEUTICS L L C (US) 2021-01-13 — — EP disclosed
US-10555969-B2 Zeolite molecular sieves for the removal of toxins FRAMEWORK THERAPEUTICS, LLC (US) 2020-02-11 — — US disclosed
US-20180369279-A1 ZEOLITE MOLECULAR SIEVES FOR THE REMOVAL OF TOXINS FRAMEWORK THERAPEUTICS, LLC (US) 2018-12-27 — — US disclosed
US-20180360875-A1 ZEOLITE MOLECULAR SIEVES FOR THE REMOVAL OF TOXINS FRAMEWORK THERAPEUTICS, LLC (US) 2018-12-20 — — US disclosed
US-20180169143-A1 ZEOLITE MOLECULAR SIEVES FOR THE REMOVAL OF TOXINS FRAMEWORKS THERAPEUTICS, LLC (US) 2018-06-21 — — US disclosed
US-20170056442-A1 ZEOLITE MOLECULAR SIEVES FOR THE REMOVAL OF TOXINS FRAMEWORK THERAPEUTICS, LLC (US) 2017-03-02 — — US disclosed
CN-104273127-A Nematode-killing pesticide composition containing lantana allyl methyl element and amino oligosaccharins FOSHAN BRIGHTMART CROP SCIENCE CO LTD 2015-01-14 — — CN disclosed
US-20050106267-A1 Zeolite molecular sieves for the removal of toxins FRAMEWORK THERAPEUTICS, LLC 2005-05-19 — — US disclosed
Send feedback