SCHEMBL28610906

SCHEMBL28610906

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
OR51E2 Q9H255 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
PGD P52209 1/20 0.33
TET2 Q6N021 1/20 0.32
CPT2 P23786 1/20 0.32
ACLY P53396 1/20 0.32
GABRR1 P24046 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
CYP1A2 P05177 1/20 0.31
SLC7A5 Q01650 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
SCHEMBL8516888 0.84
Ammonia Solution, Strong SCHEMBL1334078 0.81 MAPK1 (0.33) ALDH1A1TSHR
SCHEMBL1275819 0.79 TP53 (0.36) TP53ALDH1A1TSHRHMGCRCHRM1
SCHEMBL167278 0.79 TP53 (0.36) TP53ALDH1A1TSHRHMGCRCHRM1
SCHEMBL27958990 0.77 TP53 (0.43) TP53ALDH1A1TSHRHMGCRCHRM1
Bicarbonate SCHEMBL28126125 0.76 TP53 (0.33) TP53ALDH1A1TSHRHMGCRCHRM1
SCHEMBL27871931 0.74 TP53 (0.60) TP53OR51E2ALDH1A1TSHRSLC7A5
SCHEMBL7214777 0.74
SCHEMBL13502522 0.74 ALDH1A1 (0.38) TP53ALDH1A1TSHRHMGCRCHRM1
SCHEMBL8423443 0.73 ALDH1A1 (0.42) TP53ALDH1A1TSHRHMGCRCHRM1

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
CN-112566991-B Hard coat film, substrate with hard coat film, coating composition, and window material 旭化成株式会社 2022-09-09 CN disclosed
CN-112566991-A Hard coat film, substrate with hard coat film, coating composition, and window material 旭化成株式会社 2021-03-26 CN disclosed