SCHEMBL8896192

SCHEMBL8896192

COc1ccc2c(c1)C(O)c1cc(OC)ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
APP P05067 1/20 0.52
SNCA P37840 1/20 0.52
DYRK1A Q13627 1/20 0.50
CYP1A2 P05177 4/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2A6 P11509 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP4B1 P13584 1/20 0.46

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
SCHEMBL9449351 0.91 HRH3 (0.51) MEN1MAPTKMT2AALDH1A1APP
SCHEMBL18287927 0.84 ALDH1A1 (0.44) MEN1MAPTKMT2AALDH1A1APP
SCHEMBL18287945 0.79 MAOA (0.50) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL18545915 0.78 ALDH1A1 (0.39) MEN1MAPTKMT2AALDH1A1APP
Hydrochloric Acid SCHEMBL7201110 0.77 CYP1A2 (0.46) MEN1MAPTKMT2AALDH1A1APP
SCHEMBL11384034 0.77 CYP1A2 (0.46) MEN1MAPTKMT2AALDH1A1APP
SCHEMBL26767754 0.76 ALDH1A1 (0.48) MEN1MAPTKMT2AALDH1A1APP
SCHEMBL8582888 0.74 ALDH1A1 (0.49) MEN1MAPTKMT2AALDH1A1APP
SCHEMBL8898390 0.74 PDK2 (0.51) DYRK1APDK2CA1CA2HRH3
SCHEMBL20381771 0.74 MAOA (0.46) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed