SCHEMBL18504657

SCHEMBL18504657

C=C(C)c1cccc(C(=O)OCC)c1COc1ccn(O)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CDC25B P30305 1/20 0.38
GABRA5 P31644 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 3/20 0.36
TBXAS1 P24557 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 2/20 0.35
JMJD6 Q6NYC1 1/20 0.35
MAPK10 P53779 1/20 0.34
CSNK1D P48730 1/20 0.34
KDM4E B2RXH2 4/20 0.34
CYP2C19 P33261 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL18504401 0.91 ALDH1A1 (0.43) TSHRALDH1A1HSD17B10LMNAJMJD6
SCHEMBL18504956 0.89 KDM4E (0.36) TSHRALDH1A1HSD17B10LMNAMAPK10
SCHEMBL22564294 0.88 TSHR (0.40) TSHRCDC25BGABRA5ALDH1A1HSD17B10
SCHEMBL18504238 0.87 TSHR (0.43) TSHRCDC25BGABRA5ALDH1A1HSD17B10
SCHEMBL18504415 0.86 TSHR (0.42) TSHRCDC25BGABRA5ALDH1A1HSD17B10
SCHEMBL18504644 0.86 NR1H4 (0.36) TSHRGABRA5ALDH1A1HSD17B10KDM4E
SCHEMBL18504459 0.86 NPC1 (0.35) TSHRGABRA5ALDH1A1HSD17B10LMNA
SCHEMBL18504663 0.85 ALDH1A1 (0.44) TSHRGABRA5ALDH1A1HSD17B10LMNA
SCHEMBL18504253 0.85 TSHR (0.41) TSHRCDC25BGABRA5ALDH1A1HSD17B10
SCHEMBL18504960 0.85 TSHR (0.41) TSHRCDC25BGABRA5ALDH1A1HSD17B10

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-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed