SCHEMBL11534759

SCHEMBL11534759

O=C(O)CCCCCC(C(=O)O)n1cccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.43
NFKB1 P19838 2/20 0.43
TSHR P16473 1/20 0.43
PMP22 Q01453 1/20 0.43
GSTK1 Q9Y2Q3 2/20 0.42
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 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
SCHEMBL11536801 1.00 HSD17B10 (0.46) HSD17B10NPSR1LMNANFKB1TSHR
SCHEMBL11537659 1.00 HSD17B10 (0.46) HSD17B10NPSR1LMNANFKB1TSHR
SCHEMBL11536585 1.00 HSD17B10 (0.46) HSD17B10NPSR1LMNANFKB1TSHR
SCHEMBL11533629 0.98 HSD17B10 (0.47) HSD17B10NPSR1LMNANFKB1TSHR
SCHEMBL11535290 0.93 HSD17B10 (0.49) HSD17B10NPSR1LMNANFKB1TSHR
SCHEMBL14843770 0.85 HSD17B10 (0.52) HSD17B10NPSR1NFKB1ALDH1A1KDM4E
SCHEMBL9678399 0.85 HSD17B10 (0.52) HSD17B10NPSR1NFKB1ALDH1A1KDM4E
SCHEMBL3868378 0.82 GPR84 (0.48) HSD17B10NPSR1FFAR4FFAR1MAPT
SCHEMBL18258631 0.82 GPR84 (0.48) HSD17B10NPSR1FFAR4FFAR1MAPT
SCHEMBL5524539 0.80 NPSR1 (0.47) HSD17B10NPSR1FFAR1MAPK1MAPT

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
US-4148998-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1979-04-10 US disclosed