SCHEMBL22004256

SCHEMBL22004256

CC(O)c1ccc(OCCCOCC2CO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 4/20 0.46
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
TP53 P04637 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 2/20 0.42
PPARG P37231 1/20 0.42
HRH3 Q9Y5N1 2/20 0.40
PKM P14618 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL22005160 0.92 ALDH1A1 (0.42) SMN1; SMN2TSHRALDH1A1TDP1KMT2A
SCHEMBL24677399 0.92 ALDH1A1 (0.42) SMN1; SMN2TSHRALDH1A1TDP1KMT2A
SCHEMBL6437264 0.85 ALDH1A1 (0.57) SMN1; SMN2TSHRALDH1A1TDP1KMT2A
SCHEMBL9322136 0.82 TSHR (0.69) SMN1; SMN2TSHRALDH1A1TDP1KMT2A
SCHEMBL10331086 0.81 SMN1; SMN2 (0.56) SMN1; SMN2TSHRALDH1A1TDP1KMT2A
SCHEMBL23720649 0.78 TSHR (0.50) SMN1; SMN2TSHRALDH1A1TDP1KMT2A
SCHEMBL24595171 0.78 L3MBTL1 (0.59) SMN1; SMN2TSHRALDH1A1KMT2AMEN1
SCHEMBL11682636 0.77 TDP1 (0.68) SMN1; SMN2TSHRALDH1A1TDP1KMT2A
SCHEMBL10331087 0.77 MEN1 (0.59) SMN1; SMN2TSHRALDH1A1TDP1KMT2A
SCHEMBL162686 0.77 ALDH1A1 (0.72) SMN1; SMN2TSHRALDH1A1TDP1KMT2A

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-4036174-A1 COMPOSITION FOR FORMING HEAT-CONDUCTING MATERIAL, HEAT-CONDUCTING MATERIAL, HEAT-CONDUCTING SHEET, AND DEVICE WITH HEAT-CONDUCTING LAYER FUJIFILM Corporation (JP) 2022-08-03 EP disclosed
EP-3653574-B1 SURFACE-MODIFIED INORGANIC NITRIDE, COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, DEVICE PROVIDED WITH THERMALLY CONDUCTIVE LAYER FUJIFILM CORP (JP) 2021-01-06 EP 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
EP-3653574-A1 SURFACE-MODIFIED INORGANIC NITRIDE, COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, DEVICE PROVIDED WITH THERMALLY CONDUCTIVE LAYER FUJIFILM Corporation (JP) 2020-05-20 EP disclosed