SCHEMBL22005162

SCHEMBL22005162

O=Cc1ccc(OCCCOc2ccc(O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
HPGD P15428 1/20 0.64
ALDH5A1 P51649 1/20 0.61
ABAT P80404 1/20 0.61
LTA4H P09960 3/20 0.52
NR5A1 Q13285 1/20 0.52
ABCG2 Q9UNQ0 2/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
KMT2A Q03164 1/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL8204708 0.90 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL5090074 0.90 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
4-Hydroxybenzaldehyde SCHEMBL9749028 0.88 NR5A1 (0.72) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL22064846 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL24390595 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
4-Hydroxybenzaldehyde SCHEMBL6679746 0.87 NR5A1 (0.75) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL7996783 0.86 MAPT (0.57) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL8551794 0.86 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL8549614 0.84 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL8373486 0.84 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135861-A1 COMPOSITION FOR FORMING THERMALLY CONDUCTIVE MATERIAL, THERMALLY CONDUCTIVE MATERIAL, AND SURFACE-MODIFIED INORGANIC SUBSTANCE FUJIFILM CORPORATION (JP) 2022-05-05 US disclosed
EP-3653575-A1 SURFACE-MODIFIED INORGANIC NITRIDE, COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, DEVICE PROVIDED WITH THERMALLY CONDUCTIVE LAYER FUJIFILM Corporation (JP) 2020-05-20 EP disclosed