SCHEMBL20632041

SCHEMBL20632041

C=C(C)CCCCC(=O)CCc1ccc(OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2RL1 P55085 1/20 0.64
▸ ALOX5 P09917 2/20 0.54
▸ POLB P06746 1/20 0.52
▸ CALM1 P0DP23 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ FFAR1 O14842 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ SLC5A1 P13866 1/20 0.48
▸ SLC5A2 P31639 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 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
SCHEMBL15923344 0.87 CALM1 (0.59) F2RL1ALOX5POLBCALM1SMN1; SMN2
SCHEMBL20632919 0.87 F2RL1 (0.62) F2RL1ALOX5POLBCALM1ALDH1A1
SCHEMBL20632043 0.87 F2RL1 (0.62) F2RL1ALOX5POLBCALM1ALDH1A1
SCHEMBL7329940 0.85 F2RL1 (0.85) F2RL1ALOX5POLBCALM1ALDH1A1
SCHEMBL13041414 0.84 F2RL1 (0.59) F2RL1ALOX5POLBCALM1ALDH1A1
SCHEMBL9664592 0.83 F2RL1 (0.66) F2RL1ALOX5POLBALDH1A1NFKB1
SCHEMBL8585437 0.83 F2RL1 (0.66) F2RL1ALOX5POLB
SCHEMBL20610768 0.83 F2RL1 (0.70) F2RL1ALOX5POLBCALM1ALDH1A1
SCHEMBL20221724 0.83 F2RL1 (0.70) F2RL1ALOX5POLBALDH1A1NFKB1
SCHEMBL20610761 0.82 F2RL1 (0.60) F2RL1ALOX5POLBALDH1A1NFKB1

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-2019009956-A1 FE/CU-MEDIATED KETONE SYNTHESIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-10 — — WO disclosed
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