SCHEMBL10868815

SCHEMBL10868815

COC(=O)CCCC(O)/C=C\C=C\C=C\C(=O)CCc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2RL1 P55085 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SLC5A1 P13866 1/20 0.43
▸ SLC5A2 P31639 1/20 0.43
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ CCR5 P51681 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ OXER1 Q8TDS5 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FFAR1 O14842 1/20 0.39

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
SCHEMBL10868817 1.00 F2RL1 (0.45) F2RL1ALDH1A1POLBNFKB1NFKB2
SCHEMBL10688826 0.84 F2RL1 (0.55) F2RL1ALDH1A1POLBNFKB1NFKB2
SCHEMBL10688831 0.84 F2RL1 (0.55) F2RL1ALDH1A1POLBNFKB1NFKB2
SCHEMBL10868485 0.84 F2RL1 (0.55) F2RL1ALDH1A1POLBNFKB1NFKB2
SCHEMBL10868491 0.84 OXER1 (0.42) ALDH1A1ADRB2ADRB1OXER1ALOX5
SCHEMBL10868489 0.84 OXER1 (0.42) ALDH1A1ADRB2ADRB1OXER1ALOX5
SCHEMBL10868471 0.84 L3MBTL1 (0.44) OXER1ALOX5MEN1KMT2A
SCHEMBL10869102 0.79 FFAR4 (0.39) ALDH1A1HTTALOX5MEN1KMT2A
SCHEMBL10869104 0.79 FFAR4 (0.39) ALDH1A1HTTALOX5MEN1KMT2A
SCHEMBL10870551 0.77 OXER1 (0.39) ADRB2ADRB1OXER1ALOX5MEN1

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
EP-0183177-A1 Unsaturated fatty acid derivatives and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-06-04 — — EP disclosed
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