SCHEMBL10977964

SCHEMBL10977964

COC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CRHBP P24387 2/20 0.47
▸ CRHR2 Q13324 2/20 0.47
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ KCNH2 Q12809 3/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ MMP1 P03956 2/20 0.40
▸ MMP2 P08253 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP8 P22894 2/20 0.40
▸ MMP13 P45452 2/20 0.40

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
SCHEMBL10972161 0.82 USP2 (0.40) ALDH1A1LMNAMAPTKMT2ATDP1
SCHEMBL10749977 0.81 MC4R (0.44) ALDH1A1LMNASMN1; SMN2CRHBPCRHR2
SCHEMBL21461681 0.76 KCNH2 (0.53) ALDH1A1MAPTKCNH2
SCHEMBL1350599 0.74 MAPT (0.55) ALDH1A1MAPTKMT2ATDP1KCNH2
SCHEMBL10533251 0.74 NR1D1 (0.57) ALDH1A1CRHBPCRHR2MAPTKCNH2
SCHEMBL1350027 0.74 MAPT (0.57) ALDH1A1MAPTMAPK1KMT2AL3MBTL1
SCHEMBL2104567 0.74 CRHBP (0.54) ALDH1A1LMNASMN1; SMN2CRHBPCRHR2
SCHEMBL14861373 0.74 TDP1 (0.48) ALDH1A1LMNAMAPK1KMT2ATDP1
SCHEMBL2876660 0.74 TSHR (0.50) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL10973108 0.74 POLB (0.48) ALDH1A1SMN1; SMN2MAPT

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
EP-0149534-A2 Novel thioketene derivatives and process for the preparation thereof Tanabe Seiyaku Co., Ltd. (JP) 1985-07-24 — — EP disclosed
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