SCHEMBL27660486

SCHEMBL27660486

CCCCCCCCCCCCCCOC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
ESR1 P03372 5/20 0.51
AKR1C4 P17516 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL28872440 1.00 TSHR (0.51) TSHRALDH1A1LMNAESR1AKR1C4
SCHEMBL27660493 1.00 TSHR (0.51) TSHRALDH1A1LMNAESR1AKR1C4
SCHEMBL27485575 1.00 TSHR (0.51) TSHRALDH1A1LMNAESR1AKR1C4
SCHEMBL29849835 1.00 TSHR (0.51) TSHRALDH1A1LMNAESR1AKR1C4
SCHEMBL994804 1.00 TSHR (0.51) TSHRALDH1A1LMNAESR1AKR1C4
SCHEMBL6131513 0.88 ESR1 (0.49) TSHRALDH1A1LMNAESR1AKR1C4
SCHEMBL5564811 0.84 NR5A2 (0.57) TSHRALDH1A1LMNAESR1AKR1C4
SCHEMBL5996234 0.84 NR5A2 (0.57) TSHRALDH1A1LMNAESR1AKR1C4
SCHEMBL2805607 0.84 NR5A2 (0.57) TSHRALDH1A1LMNAESR1AKR1C4
SCHEMBL29614859 0.84 NR5A2 (0.57) TSHRALDH1A1LMNAESR1AKR1C4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1914242-B Aqueous dispersion type polyurethane composition ADEKA CORP 2011-05-18 CN disclosed
CN-1914242-A Aqueous dispersion type polyurethane composition ASAHI DENKA CO LTD (JP) 2007-02-14 CN disclosed