SCHEMBL28148014

SCHEMBL28148014

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
GRIK1 P39086 1/20 0.32
GABRR1 P24046 2/20 0.32
RNPEP Q9H4A4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
CYP1A2 P05177 1/20 0.32
SLC7A5 Q01650 1/20 0.32
PIK3CD O00329 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL4377120 0.82 GABRR1 (0.41) TP53GABRR1CYP1A2
SCHEMBL18775026 0.80 SLC7A5 (0.50) GRIK1ALDH1A1MAPTPTGS1CYP1A2
SCHEMBL6345113 0.80 SLC7A5 (0.50) GRIK1ALDH1A1MAPTPTGS1CYP1A2
SCHEMBL18775031 0.80 SLC7A5 (0.50) GRIK1ALDH1A1MAPTPTGS1CYP1A2
SCHEMBL28138187 0.79 TP53 (0.36) TP53GABRR1RNPEPALDH1A1MAPT
Hydrochloric Acid SCHEMBL5741653 0.78 SLC7A5 (0.48) GRIK1ALDH1A1MAPTPTGS1CYP1A2
Hydrochloric Acid SCHEMBL6356435 0.78 SLC7A5 (0.48) GRIK1ALDH1A1MAPTPTGS1CYP1A2
SCHEMBL22906290 0.77 TP53 (0.31) TP53
SCHEMBL8847139 0.75 GRIK1 (0.46) GRIK1CHRM1ADRA1A
SCHEMBL28997541 0.75 FOLH1 (0.43) TP53CHRM1ADRA1A

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
CN-106699932-A Catalytic system containing phosphate external electron donors for polypropylene polymerization and application of catalytic system 营口市向阳催化剂有限责任公司 2017-05-24 CN claimed