SCHEMBL8799454

SCHEMBL8799454

CSc1ccc(O[C](C)C)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
PRSS1 P07477 4/20 0.38
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
MAPT P10636 5/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DTYMK P23919 1/20 0.36
PDK1 Q15118 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8798256 0.79 TSHR (0.56) ALDH1A1LMNAGAASMN1; SMN2MAPT
SCHEMBL8799459 0.78 PDK1 (0.55) ALDH1A1LMNAGAASMN1; SMN2TRPV1
SCHEMBL27028620 0.77 PDK1 (0.41) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL9035406 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8800291 0.76 ALDH1A1 (0.53) ALDH1A1LMNAGAASMN1; SMN2PRSS1
SCHEMBL25252959 0.76 HPSE (0.52) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL31510258 0.75 MAPK1 (0.56) ALDH1A1LMNAGAASMN1; SMN2TRPV1
SCHEMBL4544584 0.75 MAPK1 (0.56) ALDH1A1LMNAGAASMN1; SMN2TRPV1
SCHEMBL8799443 0.74 TBXAS1 (0.38) ALDH1A1LMNATRPV1GRIN2DGRIN3B
SCHEMBL7167920 0.73 MAPT (0.44) ALDH1A1LMNAHTTSMN1; SMN2TRPV1

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
EP-0482771-B1 Heterocyclic acids ZENECA LTD (GB) 1997-06-18 EP disclosed
US-5410064-A Thromboxane A2 antagonists and inhibitors of thromboxane A2 synthase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-25 US disclosed
US-5219874-A Heterocyclic acids IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-15 US disclosed
EP-0482771-A2 Heterocyclic acids ZENECA LIMITED (GB) 1992-04-29 EP disclosed