SCHEMBL13372146

SCHEMBL13372146

CC1(C)c2ccccc2-c2c(-c3ccccc3O)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.45
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
BCL2L1 Q07817 1/20 0.38
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL9936344 0.89 PDK2 (0.56) PDK2ALDH1A1HPGDHSD17B10MLNR
SCHEMBL18847889 0.79 ALDH1A1 (0.50) PDK2ALDH1A1HSD17B10MLNRNR1I2
SCHEMBL16801832 0.79 PDK2 (0.44) PDK2ESR2
SCHEMBL26444789 0.78 PDK2 (0.41) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL29490148 0.78 PDK2 (0.44) PDK2ALDH1A1HPGDMLNRNR1I2
SCHEMBL19869563 0.78 PDK2 (0.44) PDK2ALDH1A1HPGDMLNRNR1I2
SCHEMBL21037625 0.78 PDK2 (0.44) PDK2HPGDMLNRNR1I2CHRM2
SCHEMBL4390436 0.77 ALDH1A1 (0.52) PDK2ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL22271342 0.77 ALDH1A1 (0.40) PDK2ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL29456914 0.77 ALDH1A1 (0.40) PDK2ALDH1A1HPGDHSD17B10BCL2L1

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
WO-2010053264-A2 METHOD FOR PREPARING ELASTOMERIC COPOLYMERS OF ETHYLENE AND α-OLEFINS SK ENERGY CO., LTD. (KR) 2010-05-14 WO disclosed