SCHEMBL9618693

SCHEMBL9618693

NC(N)(O)C(CC(=O)O)(CC(=O)O)C(CC(=O)O)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
ACLY P53396 3/20 0.33
GABRR1 P24046 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
CPT2 P23786 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
Ammonia Solution, Strong SCHEMBL10537977 0.98 TDP1 (0.41) TDP1ALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL6230622 0.74 TDP1 (0.37) TDP1ALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL10520915 0.72 TDP1 (0.43) TDP1ALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL5949737 0.71 GABRR1 (0.36) TDP1ALDH1A1ADRA1AGABRR1LMNA
SCHEMBL9372723 0.69 TDP1 (0.46) TDP1ALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL5949755 0.69 GABRR1 (0.31) GABRR1LMNA
SCHEMBL8976857 0.68 TDP1 (0.36) TDP1ALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL9474321 0.67 TDP1 (0.43) TDP1ALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL6270020 0.65 TDP1 (0.33) TDP1ALDH1A1ACLYGABRR1SLC22A6
Ammonia Solution, Strong SCHEMBL11416138 0.65 LMNA (0.43) TDP1ALDH1A1ADRA1AGABRR1SLC22A6

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
JP-4349109-A None JP disclosed
JP-H04349109-A ALKALINE AQUEOUS HYDROGEN PEROXIDE SOLUTION AND METHOD FOR STABILIZING SAME DAINIPPON JOCHUGIKU CO LTD 1992-12-03 JP disclosed
US-4414305-A SILVER HALIDE COLOR PHOTOGRAPHY FUJI PHOTO FILM CO., LTD. (JP) 1983-11-08 US disclosed