SCHEMBL21473630

SCHEMBL21473630

CCCCC(C)CCOC(=O)C(CCC#N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.41
TSHR P16473 1/20 0.36
CA2 P00918 2/20 0.34
MAPK1 P28482 2/20 0.34
CTSS P25774 3/20 0.33
CTSK P43235 2/20 0.33
SLC1A2 P43004 2/20 0.33
MAPT P10636 2/20 0.33
BLM P54132 1/20 0.33
CTSL P07711 2/20 0.32
ALOX15 P16050 1/20 0.32
CA1 P00915 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL21202245 0.80 ALOX15 (0.32) TSHRCA2ALOX15CA1
SCHEMBL19105332 0.80 TSHR (0.45) TSHRCA2MAPK1MAPTCA1
SCHEMBL29870377 0.78 SLC1A2 (0.41) TSHRSLC1A2ALDH1A1SLC1A3SLC1A1
SCHEMBL19117195 0.77 TSHR (0.45) TSHRCA2MAPK1CTSSCTSK
SCHEMBL19116908 0.77 TSHR (0.45) TSHRCA2MAPK1CTSSCTSK
SCHEMBL19105381 0.76 TSHR (0.38) TSHRSLC1A2ALDH1A1LMNA
SCHEMBL7055006 0.76 MEN1 (0.46) TSHRSLC1A2ALDH1A1LMNA
SCHEMBL20528166 0.76 TSHR (0.41) TSHRMAPK1MAPTALDH1A1LMNA
SCHEMBL20528141 0.75 NAAA (0.43) TSHRALDH1A1LMNA
SCHEMBL18602563 0.74 TSHR (0.59) ACE2TSHRMAPTALDH1A1LMNA

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
US-10950890-B2 Diester-based polymer electrolytes for high voltage lithium ion batteries ROBERT BOSCH GMBH (DE) 2021-03-16 US disclosed
US-20190319306-A1 DIESTER-BASED POLYMER ELECTROLYTES FOR HIGH VOLTAGE LITHIUM ION BATTERIES SEEO, INC. (US) 2019-10-17 US disclosed