SCHEMBL873802

SCHEMBL873802

COc1cc(COC2=CC=CC[CH]2)ccc1CCl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
TTR P02766 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
TUBB1 Q9H4B7 2/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31

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
SCHEMBL7025969 0.76 APP (0.46) ABCB1NPC1POLBRAB9AALDH1A1
SCHEMBL793294 0.70 CYP19A1 (0.31) ABCB1
SCHEMBL11838721 0.70 CA2 (0.61) TTRPOLBTUBB1TUBB4ATUBB
SCHEMBL873803 0.69 TUBB1 (0.40) ABCB1ABCG2TTRTUBB1TUBB4A
SCHEMBL31435284 0.68 PTGS2 (0.48) TTRTUBB1CA2ALDH1A1MAPT
SCHEMBL1829320 0.67 TTR (0.42) TTRCA2ALDH1A1MAPT
SCHEMBL1829321 0.67 NPC1 (0.47) TTRNPC1POLBRAB9ACA2
SCHEMBL342680 0.67 ABCB1 (0.42) ABCB1ABCG2TTRTUBB1TUBB4A
SCHEMBL465088 0.66 GABRA1 (0.46) TTRNPC1POLBRAB9AALDH1A1
SCHEMBL932599 0.65 TTR (0.47) TTRCYP3A4

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3921327-A1 GLYCYRRHETINIC ACID DERIVATIVES FOR USE IN TREATING HYPERKALEMIA Ardelyx, Inc. (US) 2021-12-15 EP disclosed
WO-2021158792-A1 METHODS OF TREATING AUTOIMMUNE OR INFLAMMATORY DISEASES OR DISORDERS AGIOS PHARMACEUTICALS, INC. (US) 2021-08-12 WO disclosed
WO-2020191502-A1 USE OF EMOXYPINE AND DERIVATIVES THEREOF FOR TREATING KIDNEY DISORDERS AND INFLAMMATORY BOWEL DISEASE ALGERNON PHARMACEUTICALS INC. (CA) 2020-10-01 WO disclosed
WO-2020163642-A1 GLYCYRRHETINIC ACID DERIVATIVES FOR USE IN TREATING HYPERKALEMIA ARDELYX, INC. (US) 2020-08-13 WO disclosed
EP-3661945-A1 GLYCYRRHETINIC ACID DERIVATIVES FOR TREATING HYPERKALEMIA Ardelyx, Inc. (US) 2020-06-10 EP disclosed
WO-2019060051-A1 GLYCYRRHETINIC ACID DERIVATIVES FOR TREATING HYPERKALEMIA ARDELYX, INC. (US) 2019-03-28 WO disclosed
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 WO disclosed
WO-2012040641-A2 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-03-29 WO disclosed
WO-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO disclosed
WO-2005113003-A2 METHOD FOR AUGMENTING B CELL DEPLETION GENENTECH, INC. (US) 2005-12-01 WO disclosed
WO-2005094818-A1 AZABICYCLO-OCTANE INHIBITORS OF IAP GENENTECH, INC. (US) 2005-10-13 WO disclosed
WO-2004113278-A2 ACYLSULFAMIDE INHIBITORS OF FACTOR VIIA GENENTECH, INC. (US) 2004-12-29 WO disclosed
WO-2004113316-A1 BENZOFURAN INHIBITORS OF FACTOR VIIA GENENTECH, INC. (US) 2004-12-29 WO disclosed
WO-2004103967-A2 THIOCARBAMATE INHIBITORS OF ALPHA-4 INTEGRINS GENENTECH, INC. (US) 2004-12-02 WO disclosed
EP-1214292-A1 TYROSINE DERIVATIVES Genentech, Inc. (US) 2002-06-19 EP disclosed
EP-1144373-A3 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2002-01-02 EP disclosed
EP-1144373-A2 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2001-10-17 EP disclosed
WO-2001021584-A1 TYROSINE DERIVATIVES GENENTECH, INC. (US) 2001-03-29 WO disclosed
WO-2000041531-A2 SERINE PROTEASE INHIBITORS GENENTECH, INC. (US) 2000-07-20 WO disclosed