SCHEMBL21098734

SCHEMBL21098734

CN/N=C(\C)c1ccc(OCCCC(=O)O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.53
▸ MAOB P27338 10/20 0.46
▸ LMNA P02545 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYSLTR2 Q9NS75 1/20 0.43
▸ CYSLTR1 Q9Y271 1/20 0.43

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
SCHEMBL21052036 0.83 PPARD (0.74) PPARDMAOBHPGDALDH1A1
SCHEMBL21098733 0.82 LMNA (0.48) PPARDMAOBLMNAKDM4EMAPT
SCHEMBL3660001 0.80 PPARD (0.57) PPARDMAOBALDH1A1
SCHEMBL10687936 0.78 PPARD (0.71) PPARDMAOB
SCHEMBL12173365 0.76 HPGD (0.61) PPARDMAOBLMNAKDM4EMAPT
SCHEMBL22787196 0.76 CYP4F2 (0.45) —
SCHEMBL3658180 0.74 ALB (0.58) PPARDMAOB
SCHEMBL3659639 0.74 ALB (0.58) PPARDMAOB
SCHEMBL5392996 0.72 PPARA (0.66) PPARDMAOBLMNAHPGDALDH1A1
SCHEMBL17676666 0.72 MAOB (0.46) PPARDMAOBLMNAKDM4EMAPT

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
WO-2019109188-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-06-13 — — WO disclosed
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