SCHEMBL14415201

SCHEMBL14415201

C=CC(=O)OCCOC(=O)C1CCC2OC2C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 2/20 0.40
THRB P10828 2/20 0.38
HPGD P15428 1/20 0.37
PPM1B O75688 2/20 0.36
PTPN1 P18031 2/20 0.36
PPP1CC P36873 2/20 0.36
KMT2A Q03164 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL259158 0.87 PPM1B (0.44) TSHRALDH1A1TP53PPM1BPTPN1
SCHEMBL22471854 0.85 PPM1B (0.36) PPM1BPTPN1PPP1CCKMT2A
SCHEMBL258736 0.83 PPM1B (0.41) TSHRTP53PPM1BPTPN1PPP1CC
SCHEMBL9186669 0.83 PPM1B (0.41) TSHRTP53PPM1BPTPN1PPP1CC
SCHEMBL13410576 0.82 TSHR (0.43) TSHRALDH1A1CYP3A4HPGDPPM1B
SCHEMBL942869 0.81 KMT2A (0.37) TSHRALDH1A1TP53CYP3A4PPM1B
SCHEMBL13935517 0.81 PPM1B (0.41) TSHRTP53PPM1BPTPN1PPP1CC
SCHEMBL13935570 0.81 PPM1B (0.41) TSHRTP53PPM1BPTPN1PPP1CC
SCHEMBL22036516 0.80 PPM1B (0.39) PPM1BPTPN1PPP1CC
SCHEMBL13935440 0.80 PPM1B (0.42) TSHRALDH1A1HSD17B10PPM1BPTPN1

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-7267910-B2 Chemical battery containing gel electrolyte based on crosslinked epoxy compound having an alicyclic structure KABUSHIKI KAISHA TOSHIBA (JP) 2007-09-11 US disclosed