SCHEMBL7990105

SCHEMBL7990105

C=CC(=O)OC(C)CC.C=CC(=O)OCCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
HPGD P15428 1/20 0.47
ALDH1A1 P00352 5/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 2/20 0.43
THRB P10828 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.38
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP19A1 P11511 1/20 0.32
PKM P14618 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL34661 0.86 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29550542 0.86 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28253546 0.85 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL262349 0.84 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
Ethylene SCHEMBL28783854 0.84 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18215276 0.84
SCHEMBL18215270 0.84
SCHEMBL34386 0.84
SCHEMBL28057272 0.84 TSHR (0.71) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8504591 0.83 TSHR (0.72) TSHRHPGDALDH1A1TP53HIF1A

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-6288170-B1 CLEAN PEELING WITH HEAT, INSEPARABLE AT USE TEMPERATURE 3M INNOVATIVE PROPERTIES COMPANY 2001-09-11 US disclosed