SCHEMBL9624294

SCHEMBL9624294

COc1ccc(C(=O)c2ccc3ccc4ccccc4c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
GAA P10253 1/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
KMT2A Q03164 3/20 0.54
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MAOB P27338 1/20 0.50
CYP2C19 P33261 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL6557518 0.87 RAB9A (0.65) ALDH1A1GAARAB9ANPC1KMT2A
SCHEMBL9625019 0.83 NPC1 (0.58) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL9718965 0.83 ALDH1A1 (0.70) ALDH1A1GAARAB9ANPC1KMT2A
SCHEMBL14124776 0.80 SRD5A2 (0.59) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL11574652 0.80 ALDH1A1 (0.54) ALDH1A1GAARAB9ANPC1KMT2A
SCHEMBL18288074 0.80 KDM4E (0.70) ALDH1A1GAARAB9ANPC1KMT2A
SCHEMBL9856912 0.79 GCGR (0.67) ALDH1A1RAB9ANPC1KMT2ANPSR1
SCHEMBL14739430 0.79 MEN1 (0.61) ALDH1A1KMT2ALMNAMEN1
SCHEMBL29402524 0.79 MEN1 (0.61) ALDH1A1KMT2ALMNAMEN1
SCHEMBL18288093 0.79 TUBB4A (0.63) ALDH1A1GAARAB9ANPC1KMT2A

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
CN-107533815-A Stamp 锡克拜控股有限公司 2018-01-02 CN disclosed
EP-0325825-B1 PHOSPHORESCENT MATERIALS THE POST OFFICE (GB) 1992-09-16 EP disclosed
US-5100580-A Polycyclic aromatic ketones, printing ink and paper coating, activator in amino resin matrix THE POST OFFICE (GB) 1992-03-31 US disclosed
EP-0325825-A1 Phosphorescent materials THE POST OFFICE (GB) 1989-08-02 EP disclosed