SCHEMBL11313260

SCHEMBL11313260

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.54
▸ NR1I2 O75469 2/20 0.54
▸ PTGS2 P35354 2/20 0.54
▸ PGR P06401 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ F7 P08709 3/20 0.48
▸ CYP19A1 P11511 3/20 0.48
▸ F3 P13726 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ PTGS1 P23219 2/20 0.48
▸ PPARG P37231 2/20 0.48
▸ PPARD Q03181 2/20 0.48
▸ PPARA Q07869 2/20 0.48
▸ OXER1 Q8TDS5 2/20 0.48

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
SCHEMBL11482185 0.91 MGLL (0.51) ALDH1A1TDP1CYP3A4ALOX15HSD17B10
SCHEMBL11325187 0.85 ADORA3 (0.61) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL4809471 0.84 ALDH1A1 (0.57) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL4809462 0.84 ALDH1A1 (0.57) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL11483552 0.83 ADORA3 (0.59) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL30512028 0.81 BCL9 (0.64) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL20446865 0.80 ADORA3 (0.54) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL4196457 0.80 ADORA3 (0.54) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL28588550 0.80 KMT2A (0.49) ALDH1A1TDP1ALOX15HSD17B10KMT2A
SCHEMBL18471978 0.80 ADORA3 (0.57) ADORA3NR1I2PTGS2PGRPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4264517-A Alkylphenyl 5Z,8Z,11Z,14Z,17Z-eicosapentaenoates G.D. SEARLE & CO. (US) 1981-04-28 — — US claimed
US-4264517-A Alkylphenyl 5Z,8Z,11Z,14Z,17Z-eicosapentaenoates G.D. SEARLE & CO. (US) 1981-04-28 — — US disclosed
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