SCHEMBL11528987

SCHEMBL11528987

C=CC(=O)OCCOC(=O)C1C=CCC(C)C1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 2/20 0.37
HPGD P15428 1/20 0.36
CYP3A4 P08684 1/20 0.35
PPM1B O75688 1/20 0.30
PTPN1 P18031 1/20 0.30
PPP1CC P36873 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
SCHEMBL10476963 0.74 TSHR (0.36) TSHRALDH1A1TP53HSD17B10HPGD
SCHEMBL16679247 0.74 TSHR (0.37) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9811791 0.74 THRB (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL127482 0.72 POLB (0.43) ALDH1A1
SCHEMBL4381366 0.71 ALDH1A1 (0.58) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9811787 0.71 TSHR (0.40) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12192386 0.71 TSHR (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18145197 0.70 PPM1B (0.38) TSHRALDH1A1HSD17B10HPGDPPM1B
SCHEMBL5296610 0.70 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7199881 0.69 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10

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-4140606-A Process for preparing a polymerizable (meth) acrylate oligomer SHOWA DENKO K.K. (JP) 1979-02-20 US claimed