SCHEMBL22534412

SCHEMBL22534412

O=C(COc1cccc2cc3ccccc3cc12)OC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
ALDH1A1 P00352 6/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
OGG1 O15527 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PREP P48147 1/20 0.41
ADAMTS4 O75173 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
PLA2G2A P14555 1/20 0.41
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 2/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL29547089 0.78 HTT (0.54) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL6655190 0.78 ALDH1A1 (0.68) MAPTPTGDR2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL21883683 0.76 ALDH1A1 (0.49) MAPTPTGDR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL30594130 0.76 ALDH1A1 (0.49) MAPTPTGDR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL11649715 0.76 ALDH1A1 (0.69) MAPTPTGDR2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL22534435 0.76 F9 (0.53) MAPTALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL28591165 0.75 ALDH1A1 (0.47) MAPTALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL28610153 0.75 MAPT (0.52) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL28600603 0.75 ALDH1A1 (0.47) MAPTALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL1397197 0.74 PTGDR2 (0.47) MAPTPTGDR2ALDH1A1HPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020208833-A1 PHOTO-RADICALLY CURABLE OXYGEN-INHIBITION-REDUCING AGENT, PHOTO-RADICALLY CURABLE OXYGEN-INHIBITION-REDUCING AGENT-CONTAINING PHOTO-RADICALLY POLYMERIZABLE COMPOSITION, PHOTO-RADICALLY CURABLE OXYGEN-INHIBITION-REDUCING AGENT-CONTAINING COATING FILM, AND METHOD FOR CURING SAME 川崎化成工業株式会社 2020-10-15 WO disclosed
WO-2020209209-A1 RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, RADICAL PHOTOPOLYMERIZABLE COMPOSITION CONTAINING RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, COATING CONTAINING RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, AND METHOD FOR CURING SAME 川崎化成工業株式会社 2020-10-15 WO disclosed