SCHEMBL2580656

SCHEMBL2580656

C=C(C)C(=O)OCCOCCOc1ccccc1C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.53
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL17033943 0.82 ALDH1A1 (0.57) ALDH1A1LMNAKDM4ESMN1; SMN2THRB
SCHEMBL1089778 0.80 PTGDR2 (0.55) PTGDR2HTR1DHTR1BSMN1; SMN2USP2
SCHEMBL17036757 0.79 ALDH1A1 (0.53) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL10580556 0.78 THRB (0.50) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
Di(Hydroxyethyl)Ether SCHEMBL2580655 0.77 PTGDR2 (0.45) PTGDR2HTR1DHTR1BALDH1A1LMNA
SCHEMBL25123525 0.77 ALDH1A1 (0.60) ALDH1A1LMNAKDM4ESMN1; SMN2USP2
SCHEMBL25796435 0.77 ALDH1A1 (0.60) ALDH1A1LMNAKDM4ESMN1; SMN2USP2
SCHEMBL19804586 0.76 SLC6A9 (0.41) PTGDR2SLC6A9PTGDR
SCHEMBL19804790 0.76 POLB (0.39) PTGDR2HTR1DHTR1BALDH1A1LMNA
SCHEMBL19804670 0.76 SLC6A9 (0.41) PTGDR2ALDH1A1SLC6A9PTGDR

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-8765310-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same HITACHI, LTD. (JP) 2014-07-01 US disclosed
US-20110269026-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME HITACHI, LTD. (JP) 2011-11-03 US disclosed