SCHEMBL9770819

SCHEMBL9770819

C[n+]1ccc(C=Cc2ccc(O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 3/20 0.61
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 3/20 0.61
HPGD P15428 3/20 0.61
CYP2C19 P33261 3/20 0.61
RAB9A P51151 2/20 0.61
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
LMNA P02545 3/20 0.57
THRB P10828 2/20 0.57
HTT P42858 2/20 0.57
GFER P55789 2/20 0.57
ALPG P10696 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GLA P06280 1/20 0.53
APP P05067 6/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52

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
SCHEMBL12125135 1.00 CHAT (0.61) CHATALDH1A1KDM4EHPGDCYP2C19
Iodide SCHEMBL31042224 0.98 ALDH1A1 (0.64) CHATALDH1A1KDM4EHPGDCYP2C19
SCHEMBL30612471 0.88 CHAT (0.76) CHATALDH1A1KDM4EHPGDCYP2C19
SCHEMBL12519753 0.85 CHAT (0.80) CHATALDH1A1KDM4EHPGDCYP2C19
SCHEMBL10001242 0.85 CHAT (0.80) CHATALDH1A1KDM4EHPGDCYP2C19
SCHEMBL13964870 0.83 ALDH1A1 (0.70) CHATALDH1A1KDM4EHPGDCYP2C19
Iodide SCHEMBL1804181 0.82 ALDH1A1 (0.68) CHATALDH1A1KDM4EHPGDCYP2C19
Iodide SCHEMBL1804188 0.82 ALDH1A1 (0.68) CHATALDH1A1KDM4EHPGDCYP2C19
Trans-4,4'-Dihydroxystilbene SCHEMBL13339135 0.80 APP (0.74) ALDH1A1KDM4EHPGDCYP2C19RAB9A
SCHEMBL6266989 0.80 APP (0.74) ALDH1A1KDM4EHPGDCYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5022738-A Optical fiber nonlinear wavelength modulator device SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-06-11 US claimed
EP-0420156-A1 Wavelength modulator device SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-04-03 EP claimed
US-5022738-A Optical fiber nonlinear wavelength modulator device SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-06-11 US disclosed