SCHEMBL28519403

SCHEMBL28519403

CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OCCO)c(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
MAPT P10636 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4A O75164 1/20 0.44

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
SCHEMBL31228822 0.87 TSHR (0.58) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL31228867 0.86 TSHR (0.53) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL31228741 0.85 TSHR (0.55) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL31228728 0.83 TSHR (0.49) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL31228740 0.83 ALDH1A1 (0.54) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL9009920 0.81 ALDH1A1 (0.68) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL6246723 0.80 THRB (0.49) TSHRALDH1A1LMNACYP3A4MEN1
SCHEMBL28440618 0.80 MEN1 (0.64) ALDH1A1LMNACYP3A4MEN1NR1I2
SCHEMBL29720413 0.80 MEN1 (0.64) ALDH1A1LMNACYP3A4MEN1NR1I2
SCHEMBL15613423 0.79 TSHR (0.68) TSHRALDH1A1LMNACYP3A4TP53

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-112384520-A Method for producing oligonucleotide compound 日本新药株式会社 2021-02-19 CN disclosed