SCHEMBL27965682

SCHEMBL27965682

O=C(O)CC(C(=O)O)C1CCCCCCC1C(CC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.36
GRIK1 P39086 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
CPN1 P15169 2/20 0.33
CPB2 Q96IY4 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
GRIK2 Q13002 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 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
SCHEMBL27965679 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2TSHRTDP1LMNA
SCHEMBL19690599 0.88 ALDH1A1 (0.37) ALDH1A1CYP1A2TSHRTDP1CYP2C9
SCHEMBL21771836 0.84 ALDH1A1 (0.38) ALDH1A1CYP1A2TSHRLMNAGRIK1
SCHEMBL6756443 0.83 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRTDP1GRIK1
SCHEMBL258779 0.83 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRTDP1GRIK1
SCHEMBL8133196 0.83 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRTDP1GRIK1
SCHEMBL27965400 0.82 ALDH1A1 (0.37) ALDH1A1CYP1A2TSHRCYP2C9CYP2C19
SCHEMBL27965401 0.82 ALDH1A1 (0.37) ALDH1A1CYP1A2TSHRCYP2C9CYP2C19
SCHEMBL28533186 0.81 ALDH1A1 (0.35) ALDH1A1CYP1A2TSHRTDP1
SCHEMBL28659361 0.81 ALDH1A1 (0.53) ALDH1A1CYP1A2TSHRTDP1GRIK1

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-102159608-B Propylene-based block copolymer and composition containing the copolymer, and molded body obtained therefrom MITSUI CHEMICALS INC 2014-05-21 CN disclosed