SCHEMBL20306558

SCHEMBL20306558

C=C(C)C(=O)OC1Cc2cc(COC(C)=O)cc3cccc1c23

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MTNR1A P48039 6/20 0.34
MTNR1B P49286 6/20 0.34
CA2 P00918 1/20 0.33
CYP3A4 P08684 1/20 0.33
IDH1 O75874 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL19771569 0.90 MTNR1A (0.35) KDM4EMTNR1AMTNR1B
SCHEMBL19335458 0.85 MTNR1A (0.37) KDM4EHSD17B10ALDH1A1MTNR1AMTNR1B
SCHEMBL2776949 0.80 MTNR1A (0.48) KDM4EMTNR1AMTNR1B
SCHEMBL20306559 0.80 MTNR1A (0.48) KDM4EMTNR1AMTNR1B
SCHEMBL19245680 0.74 MTNR1A (0.41) KDM4EHSD17B10ALDH1A1MTNR1AMTNR1B
SCHEMBL9610299 0.73 MTNR1A (0.44) KDM4EMTNR1AMTNR1B
SCHEMBL19335281 0.73 ALDH1A1 (0.40) ALDH1A1MTNR1AMTNR1BCA2CYP3A4
SCHEMBL19771584 0.73 ALDH1A1 (0.40) KDM4EALDH1A1CA2CYP3A4IDH1
SCHEMBL13374672 0.72 MTNR1A (0.34) KDM4EHSD17B10ALDH1A1MTNR1AMTNR1B
SCHEMBL19457787 0.71 ALDH1A1 (0.46) KDM4EHSD17B10ALDH1A1MTNR1AMTNR1B

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-10007178-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-06-26 US disclosed