SCHEMBL2241832

SCHEMBL2241832

CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 1.00
▸ PPARG P37231 6/20 1.00
▸ CYP19A1 P11511 5/20 1.00
▸ MAPT P10636 5/20 1.00
▸ FFAR1 O14842 4/20 1.00
▸ OXER1 Q8TDS5 3/20 1.00
▸ RXRA P19793 2/20 1.00
▸ PTGS1 P23219 5/20 0.77
▸ F7 P08709 4/20 0.77
▸ F3 P13726 4/20 0.77
▸ PPARD Q03181 4/20 0.77
▸ PPARA Q07869 4/20 0.77
▸ KMT2A Q03164 3/20 0.77
▸ ADORA3 P0DMS8 1/20 0.77
▸ L3MBTL1 Q9Y468 3/20 0.71
▸ KDM4E B2RXH2 2/20 0.71
▸ MEN1 O00255 2/20 0.71
▸ LMNA P02545 2/20 0.71
▸ CYP3A4 P08684 2/20 0.71
▸ HPGD P15428 2/20 0.71

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
Doconexent SCHEMBL18274946 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
Doconexent SCHEMBL18185529 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
Doconexent SCHEMBL18185428 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
Doconexent SCHEMBL288437 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
Doconexent SCHEMBL17289459 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
Doconexent SCHEMBL18185531 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
Doconexent SCHEMBL13900774 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
Doconexent SCHEMBL18185505 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
SCHEMBL12073579 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1
SCHEMBL6473094 1.00 ALDH1A1 (1.00) ALDH1A1PPARGCYP19A1MAPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11413263-B2 Reducing the risk of pathological effects of traumatic brain injury DSM IP ASSETS, B.V. (NL) 2022-08-16 — — US disclosed
US-20220214367-A1 CALIBRATION METHODS AND COMPOSITIONS FOR BIOMOLECULE ANALYSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-07-07 — — US disclosed
WO-2020214565-A1 CALIBRATION METHODS AND COMPOSITIONS FOR BIOMOLECULE ANALYSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-22 — — WO disclosed
WO-2011103512-A1 DHA FREE FATTY ACID EMULSIONS MARTEK BIOSCIENCES CORPORATION (US) 2011-08-25 — — WO disclosed
US-20110200645-A1 DHA Free Fatty Acid Emulsions MARTEK BIOSCIENCES CORPORATION (US) 2011-08-18 — — US disclosed
EP-1359224-A1 A process for production of polyunsaturated fatty acids by marine microorganisms ATO B.V. (NL) 2003-11-05 — — EP disclosed
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