SCHEMBL28626780

SCHEMBL28626780

C=CC(=O)OCCc1cc(N)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.47
ALDH1A1 P00352 7/20 0.42
MAPT P10636 4/20 0.42
CYP3A4 P08684 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
ESR2 Q92731 1/20 0.42
PTPN1 P18031 1/20 0.42
TSHR P16473 6/20 0.42
HIF1A Q16665 3/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 2/20 0.39
RECQL P46063 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 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
SCHEMBL2320779 0.87 THRB (0.48) THRBALDH1A1CYP3A4KDM4EGAA
SCHEMBL4578981 0.86 THRB (0.47) THRBALDH1A1MAPTCYP3A4TSHR
SCHEMBL3691364 0.84 THRB (0.46) THRBALDH1A1MAPTCYP3A4TSHR
SCHEMBL3633964 0.82 THRB (0.45) THRBALDH1A1CYP3A4TSHRHIF1A
SCHEMBL6283584 0.82 DCLRE1B (0.54) THRBALDH1A1CYP3A4PTPN1TSHR
SCHEMBL1263541 0.82 THRB (0.47) THRBALDH1A1MAPTCYP3A4KDM4E
SCHEMBL2320528 0.81 THRB (0.58) THRBALDH1A1MAPTCYP3A4TSHR
SCHEMBL29217763 0.81 ALDH1A1 (0.47) THRBALDH1A1MAPTCYP3A4KDM4E
SCHEMBL10868118 0.81 THRB (0.44) THRBALDH1A1CYP3A4ESR2TSHR
SCHEMBL28062236 0.79 ALDH1A1 (0.59) THRBALDH1A1MAPTCYP3A4KDM4E

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-113332486-A Adhesive composition for hard tissue repair and kit for hard tissue repair 嘉兴市京吟生物科技有限公司 2021-09-03 CN disclosed