SCHEMBL28611519

SCHEMBL28611519

CCC(C)(C)c1cc(O)c(O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.41
ALOX15 P16050 6/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
ATP2A2 P16615 1/20 0.41
ATP2A3 Q93084 1/20 0.41
ESR2 Q92731 6/20 0.41
AR P10275 3/20 0.41
TP53 P04637 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 3/20 0.38
MAPK1 P28482 2/20 0.38
HIF1A Q16665 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL9352375 0.89 ALOX15 (0.42) ESR1ALOX15ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3434639 0.89 ESR1 (0.44) ESR1ALOX15ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL16237184 0.86 ALOX15 (0.52) ESR1ALOX15ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8861305 0.85 ALOX15 (0.44) ESR1ALOX15ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL19121014 0.83 ALOX15 (0.43) ESR1ALOX15ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8611066 0.82 ALOX15 (0.50) ESR1ALOX15ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL34690 0.81 ALDH1A1 (0.55) ESR1ALOX15ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8975143 0.81 LMNA (0.49) ESR1ALOX15ALDH1A1CYP1A2MAPT
SCHEMBL28612138 0.81 SHBG (0.41) ESR1ALOX15ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9252633 0.80 ALDH1A1 (0.41) ALOX15ALDH1A1KDM4ETP53CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113321626-B JTP-426467 derivative and synthesis method thereof 湖南第一师范学院 2022-07-22 CN claimed
CN-113321627-B Tafamidis derivative and synthetic method thereof 湖南第一师范学院 2022-05-24 CN claimed
CN-113321627-A Tafamidis derivative and synthetic method thereof 湖南第一师范学院 2021-08-31 CN claimed
CN-113321626-A JTP-426467 derivative and synthesis method thereof 湖南第一师范学院 2021-08-31 CN claimed
CN-113321626-B JTP-426467 derivative and synthesis method thereof 湖南第一师范学院 2022-07-22 CN disclosed
CN-113321627-B Tafamidis derivative and synthetic method thereof 湖南第一师范学院 2022-05-24 CN disclosed
CN-113321627-A Tafamidis derivative and synthetic method thereof 湖南第一师范学院 2021-08-31 CN disclosed
CN-113321626-A JTP-426467 derivative and synthesis method thereof 湖南第一师范学院 2021-08-31 CN disclosed