SCHEMBL28264808

SCHEMBL28264808

CCCCC(C=O)CCOC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
FDPS P14324 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CTSK P43235 7/20 0.34
CYP3A4 P08684 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
ALDH1A1 P00352 1/20 0.30
DNM1 Q05193 1/20 0.30

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
SCHEMBL4268291 0.87 TSHR (0.37) TSHRSMN1; SMN2
SCHEMBL348615 0.84 TSHR (0.80) TSHRSMN1; SMN2FDPSCA1CA2
SCHEMBL8391264 0.80 TSHR (0.73) TSHRSMN1; SMN2FDPSCA1CA2
SCHEMBL1410522 0.80 TSHR (0.73) TSHRSMN1; SMN2FDPSCA1CA2
SCHEMBL29291467 0.78 TSHR (0.70) TSHRSMN1; SMN2FDPSCA2ADH1B
SCHEMBL10491642 0.78 TSHR (0.70) TSHRSMN1; SMN2FDPSCA2ADH1B
SCHEMBL29291473 0.78 TSHR (0.70) TSHRSMN1; SMN2FDPSCA2ADH1B
SCHEMBL2926136 0.78 TSHR (0.70) TSHRSMN1; SMN2FDPSCA2ADH1B
SCHEMBL9257929 0.78 TSHR (0.70) TSHRSMN1; SMN2FDPSCA2ADH1B
SCHEMBL28418848 0.78 TSHR (0.70) TSHRSMN1; SMN2FDPSCA2ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109600993-A Anti-EGFR antibody drug conjugates 艾伯维公司 2019-04-09 CN disclosed
CN-109562169-A anti-CD 98 antibodies and antibody drug conjugates 艾伯维公司 2019-04-02 CN disclosed
CN-109563167-A ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES 艾伯维公司 2019-04-02 CN disclosed
CN-109071509-A BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA 生命医药公司 2018-12-21 CN disclosed