SCHEMBL21300634

SCHEMBL21300634

CCCCC/C=C\C/C=C\CCCCCCCC(=O)Oc1cc(COC(=O)CCCN(C)C)cc(OC(=O)CCCCCCCCCC/C=C\CCCCC)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.50
▸ ELANE P08246 5/20 0.49
▸ MGLL Q99685 1/20 0.46
▸ CNR1 P21554 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ DNM1 Q05193 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR1B P28222 1/20 0.44

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
SCHEMBL16012809 1.00 HTR2A (0.50) HTR2AELANEMGLLCNR1ALDH1A1
SCHEMBL16013173 0.96 ELANE (0.49) HTR2AELANEMGLLCNR1ALDH1A1
SCHEMBL17685757 0.90 MGLL (0.49) HTR2AELANEMGLLCNR1ALDH1A1
SCHEMBL19103562 0.90 MGLL (0.51) HTR2AELANEMGLLCNR1ALDH1A1
SCHEMBL16013481 0.90 MGLL (0.51) HTR2AELANEMGLLCNR1ALDH1A1
SCHEMBL16013482 0.90 MGLL (0.51) HTR2AELANEMGLLCNR1ALDH1A1
SCHEMBL19103565 0.89 DNM1 (0.47) HTR2AELANEMGLLCNR1ALDH1A1
SCHEMBL16154837 0.89 DNM1 (0.47) HTR2AELANEMGLLCNR1ALDH1A1
SCHEMBL16154813 0.87 MGLL (0.51) ELANEMGLLCNR1ALDH1A1MAPT
SCHEMBL16154805 0.86 MGLL (0.49) HTR2AELANEMGLLCNR1ALDH1A1

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-2964608-B1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2019-08-28 — — EP disclosed
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