SCHEMBL29220673

SCHEMBL29220673

CCCC(O)CCOC(=O)CC(C)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
CYP19A1 P11511 1/20 0.35
NAAA Q02083 1/20 0.33
DGKA P23743 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR84 Q9NQS5 4/20 0.32
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL9681053 0.87 CYP19A1 (0.36) MAPTCYP19A1NAAADGKACHRNB2
SCHEMBL23926222 0.82 MGAM (0.44) NAAADGKACHRNB2CHRNB4CHRNA3
SCHEMBL11129034 0.82 DGKA (0.45) MAPTNAAADGKAL3MBTL1ALDH1A1
SCHEMBL19899224 0.82 CYP19A1 (0.40) MAPTCYP19A1CHRNB2CHRNB4CHRNA3
SCHEMBL1455380 0.82 HSD17B10 (0.43) MAPTNAAADGKAHSD17B10L3MBTL1
SCHEMBL195816 0.82 CYP19A1 (0.40) MAPTCYP19A1CHRNB2CHRNB4CHRNA3
SCHEMBL22205224 0.82 CYP19A1 (0.40) MAPTCYP19A1CHRNB2CHRNB4CHRNA3
SCHEMBL21974553 0.82 CYP19A1 (0.40) MAPTCYP19A1CHRNB2CHRNB4CHRNA3
SCHEMBL22205226 0.82 CYP19A1 (0.40) MAPTCYP19A1CHRNB2CHRNB4CHRNA3
SCHEMBL16053327 0.82 CYP19A1 (0.40) MAPTCYP19A1CHRNB2CHRNB4CHRNA3

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
CN-117825543-A Method for rapidly detecting polyhydroxyalkanoate in thalli 北京微构工场生物技术有限公司 2024-04-05 CN claimed
CN-117825543-A Method for rapidly detecting polyhydroxyalkanoate in thalli 北京微构工场生物技术有限公司 2024-04-05 CN disclosed