SCHEMBL29926431

SCHEMBL29926431

CC/C=C\C[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)OO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 3/20 0.60
ALDH1A1 P00352 4/20 0.60
F7 P08709 3/20 0.60
CYP19A1 P11511 3/20 0.60
F3 P13726 3/20 0.60
KMT2A Q03164 3/20 0.60
PTGS1 P23219 2/20 0.60
PPARG P37231 2/20 0.60
PPARD Q03181 2/20 0.60
PPARA Q07869 2/20 0.60
ADORA3 P0DMS8 1/20 0.60
RXRA P19793 1/20 0.60
LTB4R2 Q9NPC1 1/20 0.55
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 1/20 0.54
FFAR1 O14842 1/20 0.54
NR1I2 O75469 1/20 0.54
LMNA P02545 1/20 0.54
PLA2G1B P04054 1/20 0.54

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
SCHEMBL29729032 1.00 OXER1 (0.60) OXER1ALDH1A1F7CYP19A1F3
SCHEMBL23628381 0.95 ALDH1A1 (0.62) OXER1ALDH1A1F7CYP19A1F3
SCHEMBL12512874 0.92 OXER1 (0.58) OXER1ALDH1A1F7CYP19A1F3
SCHEMBL12772434 0.92 OXER1 (0.58) OXER1ALDH1A1F7CYP19A1F3
SCHEMBL12512880 0.92 OXER1 (0.58) OXER1ALDH1A1F7CYP19A1F3
SCHEMBL30468681 0.92 OXER1 (0.58) OXER1ALDH1A1F7CYP19A1F3
SCHEMBL1377700 0.92 OXER1 (0.58) OXER1ALDH1A1F7CYP19A1F3
SCHEMBL16237682 0.92 OXER1 (0.58) OXER1ALDH1A1F7CYP19A1F3
SCHEMBL904542 0.91 OXER1 (0.73) OXER1ALDH1A1CYP19A1KMT2APPARG
SCHEMBL6051176 0.91 OXER1 (0.73) OXER1ALDH1A1CYP19A1KMT2APPARG

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
US-11479802-B2 Assays for screening activity of modulators of members of the hydroxy steroid (17-beta) dehydrogenase (HSD17B) family REGENERON PHARMACEUTICALS, INC. (US) 2022-10-25 US disclosed