SCHEMBL18968313

SCHEMBL18968313

CCC(O)CCCCCCOC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
USP2 O75604 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 3/20 0.41
GPR84 Q9NQS5 5/20 0.40
LMNA P02545 2/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 1/20 0.39
NAAA Q02083 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL18968287 1.00 ALDH1A1 (0.52) ALDH1A1USP2CYP3A4MAPTHPGD
SCHEMBL18968288 1.00 ALDH1A1 (0.52) ALDH1A1USP2CYP3A4MAPTHPGD
SCHEMBL27843189 0.87 ALDH1A1 (0.61) ALDH1A1TSHRGPR84FFAR4FFAR1
SCHEMBL1556186 0.85 ALDH1A1 (0.57) ALDH1A1USP2CYP3A4MAPTHPGD
SCHEMBL1054275 0.84 ALDH1A1 (0.48) ALDH1A1USP2CYP3A4MAPTHPGD
SCHEMBL10061648 0.82 ALDH1A1 (0.48) ALDH1A1USP2CYP3A4MAPTHPGD
SCHEMBL28231088 0.82 TSHR (0.64) ALDH1A1USP2CYP3A4MAPTHPGD
SCHEMBL28294855 0.82 TSHR (0.64) ALDH1A1USP2CYP3A4MAPTHPGD
SCHEMBL11584363 0.82 TSHR (0.64) ALDH1A1USP2CYP3A4MAPTHPGD
SCHEMBL667765 0.81 GPR84 (0.59) ALDH1A1USP2CYP3A4MAPTHPGD

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-2017100744-A1 AMINOLIPIDOIDS AND USES THEREOF Preceres Inc. (US) 2017-06-15 WO disclosed