SCHEMBL28794111

SCHEMBL28794111

CCOC(=O)Cn1cc(C=O)c(=O)c2ccccc21

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.83
▸ MAPT P10636 2/20 0.63
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ CRHBP P24387 1/20 0.62
▸ CRHR2 Q13324 1/20 0.62
▸ LMNA P02545 1/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ TSHR P16473 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL1250151 0.91 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2ACRHBP
SCHEMBL29577169 0.87 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2ACRHBP
SCHEMBL22774281 0.87 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2ACRHBP
SCHEMBL8528645 0.80 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2ACRHBP
SCHEMBL21591573 0.80 MEN1 (0.57) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL13490809 0.79 ALDH1A1 (0.69) ALDH1A1MAPTMEN1KMT2ACRHBP
SCHEMBL1250185 0.79 ALDH1A1 (0.77) ALDH1A1MAPTMEN1KMT2ACRHBP
SCHEMBL8528642 0.78 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2ACRHBP
SCHEMBL14880155 0.78 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2ACRHBP
SCHEMBL5475563 0.78 ALDH1A1 (0.76) ALDH1A1MAPTMEN1KMT2ACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114787147-A Heterocyclic compounds as modulators of interferon gene Stimulators (STING) 雷沃医疗有限公司 2022-07-22 — — CN disclosed
CN-114787148-A Functionalized heterocyclic compounds as modulators of interferon gene Stimulators (STING) 雷沃医疗有限公司 2022-07-22 — — CN disclosed
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