SCHEMBL16626822

SCHEMBL16626822

CCC(C(=O)OC)C(CC)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
ZDHHC7 Q9NXF8 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CA14 Q9ULX7 2/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
CA12 O43570 2/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP8 P22894 1/20 0.36
CA9 Q16790 1/20 0.36
MIF P14174 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL14601911 1.00 CA1 (0.48) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL4753760 0.90 CA1 (0.42) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL15015843 0.90 CA1 (0.42) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL4753756 0.90 CA1 (0.42) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL28017335 0.88 CA1 (0.50) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL13443753 0.87 SMN1; SMN2 (0.46) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL7433060 0.87 SMN1; SMN2 (0.46) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL13443752 0.87 SMN1; SMN2 (0.46) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL4891303 0.85 CA1 (0.42) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL8980146 0.85 CA1 (0.42) CA1CA2SMN1; SMN2ZDHHC7MGAM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118130681-A Analysis method for non-fuel evaporative pollutant source of automobile seat 中汽研汽车检验中心(天津)有限公司 2024-06-04 CN disclosed
US-20160208096-A1 SOLUTION OF AROMATIC POLYAMIDE FOR PRODUCING DISPLAY ELEMENT, OPTICAL ELEMENT, ILLUMINATION ELEMENT OR SENSOR ELEMENT AKRON POLYMER SYSTEMS, INC. (US) 2016-07-21 US disclosed
US-20150097174-A1 RESIN COMPOSITION, SUBSTRATE, METHOD OF MANUFACTURING ELECTRONIC DEVICE AND ELECTRONIC DEVICE AKRON POLYMER SYSTEMS INC. (US) 2015-04-09 US disclosed