SCHEMBL11529162

SCHEMBL11529162

CC(C)c1ccc(C(=O)c2ccccc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.56
KAT6A Q92794 1/20 0.52
ABCC9 O60706 1/20 0.49
ABCC8 Q09428 1/20 0.49
KCNJ11 Q14654 1/20 0.49
KCNJ8 Q15842 1/20 0.49
GAA P10253 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
MAPK14 Q16539 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL10759830 0.85 CES2 (0.62) ABCC9ABCC8KCNJ11KCNJ8GAA
SCHEMBL11527434 0.84 ABCC9 (0.45) ESRRAKAT6AABCC9ABCC8KCNJ11
SCHEMBL15197127 0.82 KAT6A (0.52) ESRRAKAT6AGAACES2CES1
SCHEMBL11524017 0.82 ABCC9 (0.43) ESRRAKAT6AABCC9ABCC8KCNJ11
SCHEMBL11757190 0.81 CES2 (0.46) ESRRAABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7648621 0.81 AKR1C3 (0.66) ALDH1A1ALOX15MEN1KMT2ALMNA
SCHEMBL11858542 0.81 LIG1 (0.65) ESRRAGAAALDH1A1ALOX15MEN1
SCHEMBL1630752 0.80 AKR1C3 (0.65) ABCC9ABCC8KCNJ11KCNJ8GAA
SCHEMBL29779621 0.80 NR4A1 (0.65) ABCC9ABCC8KCNJ11KCNJ8GAA
SCHEMBL4638623 0.80 CES2 (0.52) ABCC9ABCC8KCNJ11KCNJ8GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4145444-A 4-BUTYL-BENZOPHENONE KAKEN CHEMICAL CO., LTD. (JP) 1979-03-20 US disclosed
US-4124726-A 2-FLUORO-4'-ALKYLBENZOPHENONE KAKEN CHEMICAL CO., LTD. (JP) 1978-11-07 US disclosed