SCHEMBL27361063

SCHEMBL27361063

CCCOCCOC(=O)/C(C)=C\C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
HCAR2 Q8TDS4 4/20 0.39
TSHR P16473 5/20 0.38
ALDH1A1 P00352 5/20 0.38
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL27835417 1.00 THRB (0.42) THRBHCAR2TSHRALDH1A1TP53
SCHEMBL27346607 1.00 THRB (0.42) THRBHCAR2TSHRALDH1A1TP53
SCHEMBL27835364 1.00 THRB (0.42) THRBHCAR2TSHRALDH1A1TP53
SCHEMBL5052677 0.89 HCAR2 (0.48) THRBHCAR2TSHRALDH1A1KDM4E
SCHEMBL7771261 0.89 HCAR2 (0.48) THRBHCAR2TSHRALDH1A1KDM4E
SCHEMBL7770947 0.89 HCAR2 (0.48) THRBHCAR2TSHRALDH1A1KDM4E
SCHEMBL27853450 0.86 MEN1 (0.39) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL27853452 0.86 MEN1 (0.39) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL27853454 0.86 MEN1 (0.39) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL27853448 0.86 MEN1 (0.39) THRBTSHRALDH1A1TP53HIF1A

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-1058280-C Coating compositions NIPPON OIL CO LTD (JP) 2000-11-08 CN disclosed
CN-1128778-A Coating compositions NIPPON OIL CO LTD (JP) 1996-08-14 CN disclosed