SCHEMBL29138976

SCHEMBL29138976

CCc1c(CC)c(C(=O)O)c2ccccc2c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DHODH Q02127 1/20 0.47
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
PDE10A Q9Y233 2/20 0.43
LMNA P02545 1/20 0.43
EGFR P00533 1/20 0.41
FBP1 P09467 1/20 0.40
TSHR P16473 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
AGTR1 P30556 3/20 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
SCHEMBL30631722 1.00 KDM4E (0.47) KDM4EALDH1A1HPGDMEN1CYP1A2
SCHEMBL1079657 0.90 KDM4E (0.42) KDM4EALDH1A1HPGDMEN1CYP1A2
SCHEMBL27845391 0.88 KDM4E (0.44) KDM4EALDH1A1HPGDMEN1CYP1A2
SCHEMBL8853214 0.87 KDM4E (0.47) KDM4EALDH1A1HPGDMEN1CYP1A2
SCHEMBL29138975 0.83 LDHA (0.51) KDM4EALDH1A1HPGDMEN1CYP1A2
SCHEMBL30732550 0.83 LDHA (0.51) KDM4EALDH1A1HPGDMEN1CYP1A2
SCHEMBL6265170 0.83 LDHA (0.44) KDM4EALDH1A1HPGDMEN1CYP1A2
SCHEMBL6608353 0.82 HMGB1 (0.41) KDM4EALDH1A1HPGDMEN1CYP1A2
SCHEMBL30732531 0.80 AGTR1 (0.51) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29138978 0.80 AGTR1 (0.51) KDM4EALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402332-A Modified heat-resistant PET copolyester with high impact strength and high transparency and preparation method thereof 中国科学院化学研究所 2024-01-16 CN claimed
CN-115246923-B Wide-color-gamut high-performance fluorescent copolyester and synthetic method and application thereof 中国科学院化学研究所 2023-11-28 CN claimed
CN-115246923-B Wide-color-gamut high-performance fluorescent copolyester and synthetic method and application thereof 中国科学院化学研究所 2023-11-28 CN disclosed