SCHEMBL9854613

SCHEMBL9854613

CC1(C)c2ccccc2OC(=O)Oc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
DRD1 P21728 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2A P28223 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX5 P09917 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
IDO1 P14902 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL47009 0.86 ALOX5 (0.44) PDK2PDK4DRD1MEN1KMT2A
SCHEMBL29360424 0.86 ALOX5 (0.44) PDK2PDK4DRD1MEN1KMT2A
Hydrochloric Acid SCHEMBL10624875 0.84 ALOX5 (0.42) PDK2PDK4DRD1MEN1KMT2A
Hydrochloric Acid SCHEMBL10624869 0.84 ALOX5 (0.42) PDK2PDK4DRD1MEN1KMT2A
SCHEMBL31243239 0.84 ALOX5 (0.42) PDK2PDK4DRD1MEN1KMT2A
Phosphine SCHEMBL17530281 0.84 ALOX5 (0.42) PDK2PDK4DRD1MEN1KMT2A
SCHEMBL377211 0.83 PDK2 (0.41) PDK2PDK4DRD1MEN1KMT2A
SCHEMBL3656351 0.79 ALDH1A1 (0.35) PDK2PDK4MEN1KMT2ANPC1
SCHEMBL29723168 0.78 ALOX5 (0.38) PDK2PDK4DRD1HTR2AALOX5
SCHEMBL24140666 0.76 ALOX5 (0.39) PDK2PDK4DRD1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0029703-A1 Electrophotographic imaging member XEROX CORPORATION (US) 1981-06-03 EP claimed
CN-118159223-A Ocular devices and methods 文奇制药公司 2024-06-07 CN disclosed
WO-2023239698-A1 COMPOSITION AND USE OF PROGRAMABLE PARTICLES DIAMETRYX INC. (US) 2023-12-14 WO disclosed
CN-101031472-A Delamination-resistant multilayer container, preform, article and method with oxygen barrier formulations GRAHAM PACKAGING PET TECH (US) 2007-09-05 CN disclosed
EP-0412851-A2 Photosensitive member and multi-color image forming method CANON KABUSHIKI KAISHA (JP) 1991-02-13 EP disclosed
EP-0377318-A2 Electrophotographic imaging element XEROX CORPORATION (US) 1990-07-11 EP disclosed
EP-0289216-A2 Electrophotographic imaging member XEROX CORPORATION (US) 1988-11-02 EP disclosed