SCHEMBL21164254

SCHEMBL21164254

COC(=O)CCC(C)CC(C)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.45
TSHR P16473 3/20 0.44
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
BHMT Q93088 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL3872540 0.90 TSHR (0.48) SLC1A1TSHRKMT2AMEN1CA12
SCHEMBL14359837 0.82 GABRP (0.48) SLC1A1BHMTCACNA2D1CACNB3CACNA1C
SCHEMBL14865411 0.80 TSHR (0.50) SLC1A1TSHRKMT2AMEN1CA12
SCHEMBL3309517 0.78 TSHR (0.52) SLC1A1TSHRKMT2AMEN1CA12
SCHEMBL3584800 0.78 TSHR (0.52) SLC1A1TSHRKMT2AMEN1CA12
SCHEMBL14359978 0.77 CACNA2D1 (0.46) TSHRBHMTLMNACACNA2D1CACNB3
SCHEMBL23937112 0.76 TSHR (0.41) SLC1A1TSHRKMT2AMEN1CA12
SCHEMBL14359966 0.76 TSHR (0.52) TSHRKMT2AMEN1LMNAALDH1A1
SCHEMBL27904910 0.76 BLM (0.47) SLC1A1TSHRKMT2AMEN1CA12
SCHEMBL148546 0.76 TSHR (0.43) TSHRBHMTKDM4ECACNA2D1CACNB3

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-10351881-B2 Host cells and methods for producing diacid compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-16 US disclosed