SCHEMBL19988694

SCHEMBL19988694

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
BLM P54132 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
GRM2 Q14416 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL890334 0.79 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL15371621 0.79 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL16675255 0.75 TSHR (0.35) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL18432078 0.75 DGAT1 (0.35) TSHR
SCHEMBL3591388 0.74 GGT1 (0.48) GGT1TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL22357188 0.74 GGT1 (0.48) GGT1TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL169944 0.73 TSHR (0.33) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Hydrochloric Acid SCHEMBL16246112 0.72 GGT1 (0.46) GGT1TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL19988345 0.71 TSHR (0.32) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL16882947 0.71 GRM2 (0.42) GGT1TSHRALDH1A1CYP2D6CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558516-B1 BLOCK AND GRAFT COPOLYMERS OF POLY (ALKYLENE CARBONATE) AND VARIOUS POLYMERS SK INNOVATION CO LTD (KR) 2023-05-10 EP disclosed
US-20180081236-A1 POLYMERIZABLE COMPOSITION, WAVELENGTH CONVERSION MEMBER, BACKLIGHT UNIT, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2018-03-22 US disclosed