SCHEMBL28199482

SCHEMBL28199482

CC(C)(C)c1cc(CCC([O])=O)cc(CN)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.55
KMT2A Q03164 5/20 0.48
HSPA5 P11021 2/20 0.46
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
BLM P54132 2/20 0.39
ATM Q13315 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
AGTR1 P30556 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL27258380 0.88 GAA (0.55) GAAKMT2AHSPA5MEN1ALDH1A1
SCHEMBL27750954 0.88 GAA (0.55) GAAKMT2AHSPA5MEN1ALDH1A1
SCHEMBL9155201 0.86 GAA (0.66) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL27900892 0.81 HSPA5 (0.56) GAAKMT2AHSPA5MEN1ALDH1A1
SCHEMBL27698933 0.81 HSPA5 (0.51) GAAKMT2AHSPA5MEN1ALDH1A1
SCHEMBL4139426 0.80 GAA (0.55) GAAKMT2AHSPA5MEN1ALDH1A1
SCHEMBL28747943 0.79 HSPA5 (0.49) GAAKMT2AHSPA5MEN1ALDH1A1
Triethylene Glycol SCHEMBL27658964 0.79 GAA (0.45) GAAKMT2AHSPA5MEN1ALDH1A1
Triethylene Glycol SCHEMBL28227444 0.79 GAA (0.45) GAAKMT2AHSPA5MEN1ALDH1A1
SCHEMBL28144427 0.76 GAA (0.42) GAAKMT2AHSPA5MEN1ALDH1A1

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-107722215-A The resin manufacture of aliphatic urethane acrylate containing glycol method, the photocurable coating applications composition for light guide plate 三和涂料株式会社 2018-02-23 CN disclosed