SCHEMBL9770294

SCHEMBL9770294

CCOCCOc1cc(C)cc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.44
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
THRA P10827 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
P2RY12 Q9H244 1/20 0.37

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
SCHEMBL8672402 0.89 TP53 (0.47) TP53ALOX15TDP1KDM4EMAPT
SCHEMBL8673129 0.89 TP53 (0.47) TP53ALOX15TDP1KDM4EMAPT
SCHEMBL17203742 0.87 ALDH1A1 (0.41) NCF1TP53ALOX15TDP1THRA
SCHEMBL17203741 0.87 NCF1 (0.39) NCF1TP53ALOX15TDP1MAPK1
SCHEMBL15219240 0.86 NCF1 (0.49) NCF1TDP1KDM4EMAPTMAPK1
SCHEMBL5929477 0.86 TP53 (0.52) TP53ALOX15HPGDSMN1; SMN2TDP1
SCHEMBL13021583 0.81 MEN1 (0.45) TP53ALOX15HPGDTDP1KDM4E
SCHEMBL7387403 0.80 L3MBTL1 (0.59) SMN1; SMN2TDP1KDM4EMAPTMAPK1
SCHEMBL21401729 0.80 MEN1 (0.40) NCF1SMN1; SMN2TDP1KDM4EMAPT
SCHEMBL9123683 0.79 ELANE (0.49) TP53ALOX15TDP1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4981836-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-01-01 US disclosed