SCHEMBL27355444

SCHEMBL27355444

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(Br)C(C)CC(C)CC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.37
▸ MAPT P10636 4/20 0.37
▸ ADORA3 P0DMS8 2/20 0.37
▸ NR1I2 O75469 2/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ PGR P06401 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ OXER1 Q8TDS5 4/20 0.36
▸ CYP19A1 P11511 3/20 0.36
▸ PPARG P37231 3/20 0.36
▸ RXRA P19793 2/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PTGS1 P23219 3/20 0.34
▸ F7 P08709 3/20 0.34
▸ F3 P13726 3/20 0.34

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
SCHEMBL11327952 0.74 OXER1 (0.44) ALDH1A1MAPTADORA3NR1I2PTGS2
SCHEMBL10587403 0.71 ALDH1A1 (0.44) ALDH1A1MAPTADORA3NR1I2PTGS2
SCHEMBL17249973 0.70 ADORA3 (0.49) ALDH1A1MAPTADORA3NR1I2PTGS2
SCHEMBL6128459 0.70 ADORA3 (0.37) ALDH1A1MAPTADORA3NR1I2PTGS2
SCHEMBL14593383 0.69 OXER1 (0.37) ALDH1A1MAPTADORA3NR1I2PTGS2
SCHEMBL30804644 0.68 ALDH1A1 (0.52) ALDH1A1MAPTADORA3NR1I2PTGS2
SCHEMBL27557979 0.68 CNR1 (0.51) ALDH1A1MAPTOXER1FAAHCNR1
SCHEMBL17249966 0.68 ALDH1A1 (0.51) ALDH1A1MAPTADORA3NR1I2PTGS2
SCHEMBL12696483 0.67 ALDH1A1 (0.62) ALDH1A1MAPTADORA3NR1I2PTGS2
SCHEMBL982588 0.67 ALDH1A1 (0.62) ALDH1A1MAPTADORA3NR1I2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024035945-A1 EFFICIENT SYNTHESIS OF VERY-LONG-CHAIN POLYUNSATURATED FATTY ACIDS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2024-02-15 — — WO disclosed
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