SCHEMBL19815037

SCHEMBL19815037

CCC(O)CCCCOC(=O)CCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.49
FFAR1 O14842 2/20 0.49
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
DGKA P23743 1/20 0.41
NOD1 Q9Y239 1/20 0.40
GPR84 Q9NQS5 4/20 0.39
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL536981 0.97 FFAR4 (0.53) FFAR4FFAR1TSHRALDH1A1L3MBTL1
SCHEMBL20772742 0.93 L3MBTL1 (0.47) TSHRALDH1A1L3MBTL1DGKANOD1
SCHEMBL536514 0.92 FFAR4 (0.50) FFAR4FFAR1TSHRALDH1A1L3MBTL1
SCHEMBL23926220 0.90 L3MBTL1 (0.50) FFAR4FFAR1TSHRALDH1A1L3MBTL1
SCHEMBL19814992 0.89 FFAR4 (0.60) FFAR4FFAR1TSHRALDH1A1L3MBTL1
SCHEMBL22028555 0.88 HTR2C (0.46) FFAR4FFAR1TSHRALDH1A1L3MBTL1
SCHEMBL23926226 0.88 DGKA (0.47) TSHRALDH1A1L3MBTL1DGKANOD1
SCHEMBL15512631 0.87 FFAR4 (0.47) FFAR4FFAR1TSHRALDH1A1L3MBTL1
SCHEMBL15512758 0.86 FFAR4 (0.60) FFAR4FFAR1ALDH1A1L3MBTL1DGKA
SCHEMBL23926225 0.84 DGKA (0.52) FFAR4TSHRALDH1A1L3MBTL1DGKA

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
EP-3491044-A1 METHOD OF REGIOSELECTIVE SYNTHESIS OF POLYESTERS FROM ASYMMETRIC DIOLS Versalis S.p.A. (IT) 2019-06-05 EP disclosed
WO-2018020440-A1 METHOD OF REGIOSELECTIVE SYNTHESIS OF POLYESTERS FROM ASYMMETRIC DIOLS VERSALIS S.P.A. (IT) 2018-02-01 WO disclosed