SCHEMBL28117913

SCHEMBL28117913

CC(C)(C(CC(=O)O)C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.39
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
FOLH1 Q04609 2/20 0.36
PGD P52209 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 1/20 0.34
GABRR1 P24046 2/20 0.33
LMNA P02545 1/20 0.33
HSPD1 P10809 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
GRIK1 P39086 1/20 0.32

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
SCHEMBL20131344 0.88 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6HMGCRCHRM1
SCHEMBL17376872 0.84 TDP1 (0.36) TDP1SMN1; SMN2SLC22A6PGDHSPD1
SCHEMBL8853350 0.84 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6HMGCRCHRM1
SCHEMBL1941442 0.84 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6HMGCRCHRM1
SCHEMBL1941444 0.84 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6HMGCRCHRM1
SCHEMBL14558024 0.82 TDP1 (0.42) TDP1SMN1; SMN2SLC22A6HMGCRCHRM1
SCHEMBL17376844 0.81 CACNA2D1 (0.41) TDP1SMN1; SMN2ADRA1AFOLH1LMNA
SCHEMBL19788372 0.80 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6HMGCRCHRM1
SCHEMBL869272 0.78 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6HMGCRCHRM1
SCHEMBL14620834 0.78 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6HMGCRCHRM1

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
CN-106195891-B A kind of solar energy gardens insect with automatic cleaning function flutters collection lamp and its method of work 徐州工程学院 2018-07-03 CN claimed
CN-106192888-B One kind has monitoring alarm Functional City flood control assembling wall and its method of work 徐州工程学院 2018-02-02 CN disclosed
CN-106192888-A One has the flood control of monitoring alarm Functional City and assembles wall and method of work thereof 徐州工程学院 2016-12-07 CN disclosed