SCHEMBL13458185

SCHEMBL13458185

C=C(C)C(=O)OC1CC(C)[C@@H](C)CC1OC(=O)CCC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ POLB P06746 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
SCHEMBL13458179 0.89 TSHR (0.35) TSHRALDH1A1
SCHEMBL13458357 0.86 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL13458361 0.83 CHRM2 (0.39) TSHRALDH1A1
SCHEMBL3060954 0.76 ALDH1A1 (0.44) TSHRALDH1A1KDM4EMAPTKMT2A
SCHEMBL13458358 0.75 THRB (0.41) TSHRALDH1A1
SCHEMBL13458355 0.73 TSHR (0.38) TSHRALDH1A1
SCHEMBL23494080 0.72 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL1906601 0.72 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL13458362 0.72 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL12656637 0.70 MGAM (0.42) TSHRMAPTKMT2AHSD17B10POLB

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-20100055621-A1 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-03-04 — — US disclosed
Send feedback