SCHEMBL6837032

SCHEMBL6837032

CC1(Cc2ccccc2)CC(=O)c2ccccc2O1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
MAOB P27338 4/20 0.46
ATM Q13315 1/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKT1 P31749 1/20 0.40
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
PRTN3 P24158 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 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
SCHEMBL11386124 0.80 AKT1 (0.46) SIGMAR1MAOBATMAKT1ALDH1A1
SCHEMBL11162654 0.79 SIGMAR1 (0.51) SIGMAR1MAOBATMAKT1ALDH1A1
SCHEMBL25082424 0.79 ATM (0.44) SIGMAR1MAOBATML3MBTL1AKT1
SCHEMBL6810670 0.79 ELANE (0.43) MAOBLMNAHTTNPSR1L3MBTL1
SCHEMBL11105397 0.78 AKT1 (0.45) SIGMAR1MAOBATMAKT1ALDH1A1
SCHEMBL28461980 0.78 SIGMAR1 (0.50) SIGMAR1MAOBATMLMNAHTT
SCHEMBL9456096 0.75 ATM (0.41) SIGMAR1MAOBATMAKT1ALDH1A1
SCHEMBL11107182 0.75 AKT1 (0.48) SIGMAR1MAOBATML3MBTL1AKT1
SCHEMBL544297 0.75 ALDH1A1 (0.60) SIGMAR1MAOBATMALDH1A1MAPT
SCHEMBL30065841 0.75 ALDH1A1 (0.60) SIGMAR1MAOBATMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756432-B2 POLYBUTADIENE TYPE POLYMER WITH A 1-BENZOPYRAN, A 1-BENZO PYRAN-2-ONE OR A BENZOIN DERIVATIVE; MOLDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-06-29 US disclosed
US-20030153655-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-14 US disclosed
US-4479007-A Chroman-4-ones and process for preparing same BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed
US-4415741-A REACTING O-HYDROXYACETOPHENONE AND CYCLOPENTANONE BAYER AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
US-4185112-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-01-22 US disclosed