SCHEMBL9358684

SCHEMBL9358684

CC(=Cc1cc([N+](=O)[O-])ccc1O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.59
POLB P06746 2/20 0.54
MAPT P10636 7/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.50
LMNA P02545 2/20 0.50
HCRTR1 O43613 1/20 0.50
GAA P10253 2/20 0.49
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
GPR35 Q9HC97 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 3/20 0.47
CCR6 P51684 1/20 0.47

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
SCHEMBL9358680 1.00 ERN1 (0.59) ERN1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL5517865 0.88 ERN1 (0.47) ERN1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL9551016 0.85 MAPT (0.56) ERN1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL9384129 0.85 MAPT (0.56) ERN1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL16971054 0.85 ALDH1A1 (0.50) ERN1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL14198017 0.84 ERN1 (0.67) ERN1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL4924517 0.83 ERN1 (0.61) ERN1POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL4019892 0.82 ALDH1A1 (0.51) POLBMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL4019895 0.82 ALDH1A1 (0.51) POLBMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL5579245 0.81 ERN1 (0.55) ERN1POLBMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489836-B1 LIGHT ACTIVATED ACYL-ENZYMES UNIV DUKE (US) 1994-12-21 EP disclosed
US-5218137-A Chemical light amplifiers DUKE UNIVERSITY (US) 1993-06-08 US disclosed
EP-0489836-A4 LIGHT ACTIVATED ACYL-ENZYMES 1993-05-26 EP disclosed
EP-0489836-A1 LIGHT ACTIVATED ACYL-ENZYMES. UNIV DUKE (US) 1992-06-17 EP disclosed
US-5114851-A Serine- or cysteine-containing protease modified by nucleophilic cinnamic acid; photoisomerization; biological switches; medical diagnosis DUKE UNIVERSITY (US) 1992-05-19 US disclosed
WO-1991003549-A1 LIGHT ACTIVATED ACYL-ENZYMES DUKE UNIVERSITY (US) 1991-03-21 WO disclosed