SCHEMBL10513626

SCHEMBL10513626

NOC(CC(=O)O)C(N)(CC(=O)O)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
TSHR P16473 1/20 0.31
CTH P32929 1/20 0.31
CBS P35520 1/20 0.31
THPO P40225 1/20 0.31
KDM4E B2RXH2 1/20 0.30
THRB P10828 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL465794 0.71 TDP1 (0.40) TDP1GABRR1LMNASLC22A6TSHR
SCHEMBL5690732 0.68 TDP1 (0.37) TDP1GABRR1LMNASLC22A6TSHR
SCHEMBL9318030 0.67 ALDH1A1 (0.43) TDP1GABRR1LMNASLC22A6TSHR
SCHEMBL20925402 0.62
SCHEMBL3491758 0.61
SCHEMBL9551188 0.61 SRR (0.47) TDP1GABRR1LMNASLC22A6TSHR
SCHEMBL16374685 0.60 ALDH1A1 (0.45) TDP1LMNATSHRCTHCBS
SCHEMBL26361 0.60 ALDH1A1 (0.45) TDP1LMNATSHRCTHCBS
SCHEMBL10589741 0.60
SCHEMBL2770429 0.60 TDP1 (0.37) TDP1GABRR1LMNASLC22A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186188-B1 LUBRICANT FOR WATER FITTINGS SUCH AS WATER TAPS AND THE LIKE DOW CORNING GMBH (DE) 1989-08-23 EP claimed
US-4784795-A THICKENERS, ANTIDEPOSIT AGENTS DOW CORNING GMBH (DE) 1988-11-15 US claimed
US-4784795-A THICKENERS, ANTIDEPOSIT AGENTS DOW CORNING GMBH (DE) 1988-11-15 US disclosed