SCHEMBL8519627

SCHEMBL8519627

CCC(O)c1cc(C(C)(C)C)c(O)c(C2(C)CCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALOX12 P18054 2/20 0.39
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP1A2 P05177 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP2D6 P10635 1/20 0.33
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.32
CA2 P00918 2/20 0.31
CA1 P00915 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
SCHEMBL8397549 0.85 TSHR (0.38) TSHRALOX12GLANPSR1HSD17B10
SCHEMBL8519229 0.84
SCHEMBL8400761 0.82 GLA (0.44) TSHRALOX12GLANPSR1HSD17B10
SCHEMBL8400772 0.81 GLA (0.46) TSHRALOX12GLANPSR1HSD17B10
SCHEMBL8401328 0.78 GLRA3 (0.36) TSHRALOX12GLANPSR1HSD17B10
SCHEMBL18982775 0.78 CA2 (0.50) TSHRALOX12NPSR1HSD17B10MEN1
SCHEMBL8397559 0.76 RARB (0.42) TSHRALOX12GLAHSD17B10MEN1
SCHEMBL7933969 0.76 GLA (0.37) TSHRALOX12GLANPSR1HSD17B10
SCHEMBL11813522 0.76 GLA (0.55) TSHRALOX12GLANPSR1HSD17B10
SCHEMBL7933971 0.73 TSHR (0.36) TSHRALOX12GLANPSR1HSD17B10

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-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed