SCHEMBL11520501

SCHEMBL11520501

O=C1NC(=O)C(OC(=O)c2ccc(C(=O)OC3NC(=O)NC3=O)cc2)N1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
RGS12 O14924 1/20 0.38
GAA P10253 2/20 0.35
BACE1 P56817 1/20 0.34
PTPN2 P17706 2/20 0.34
PTPN1 P18031 2/20 0.34
PTPRF P10586 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL11537769 0.76 TSHR (0.47) TSHRRGS12GAABACE1
SCHEMBL631670 0.75 TSHR (0.41) TSHRRGS12BACE1KDM4E
SCHEMBL1332682 0.70 TSHR (0.42) TSHRRGS12GAATDP1
SCHEMBL6250456 0.68 TSHR (0.40) TSHRRGS12TDP1
SCHEMBL11420895 0.68 TSHR (0.40) TSHRRGS12TDP1
SCHEMBL18009179 0.67 NFE2L2 (0.43) TSHRRGS12GAAKDM4E
SCHEMBL8402767 0.66 ESR1 (0.46) TSHRGAATDP1KDM4E
SCHEMBL854268 0.66 RGS12 (0.38) TSHRRGS12TDP1
SCHEMBL19755145 0.66 CHRNA7 (0.49) GAAPTPN2PTPN1PTPRFCHRNA7
SCHEMBL5320949 0.66 HTT (0.42) GAAPTPN2PTPN1PTPRFKDM4E

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
US-4141928-A POLYOXYALKYLATED HYDANTOIN, BLOCK POLYMERS MONSANTO COMPANY (US) 1979-02-27 US disclosed
US-4122072-A FIBERS, MODIFIED BY HYDANTOIN DERIVATIVES MONSANTO COMPANY (US) 1978-10-24 US disclosed