SCHEMBL9259864

SCHEMBL9259864

CC(C)(C)c1ccc2oc(C(=O)CBr)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.49
PIM2 Q9P1W9 1/20 0.49
ADAM17 P78536 1/20 0.47
CYP26B1 Q9NR63 2/20 0.43
CYP26A1 O43174 1/20 0.43
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
BRCA1 P38398 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FLT3 P36888 3/20 0.41
TP53 P04637 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL5600481 0.81 PIM1 (0.71) PIM1PIM2ADAM17CYP26B1CYP26A1
SCHEMBL9263927 0.81 LMNA (0.63) PIM1PIM2ADAM17CYP26B1CYP26A1
Methylene Chloride SCHEMBL28171003 0.81 PIM1 (0.66) PIM1PIM2ADAM17CYP26B1CYP26A1
SCHEMBL16708233 0.80 TAS1R3 (0.53) PIM1ADAM17LMNAHPGDSMN1; SMN2
SCHEMBL3721823 0.78 PIM1 (0.68) PIM1ADAM17LMNASMN1; SMN2ALDH1A1
SCHEMBL2096338 0.77 NPC1 (0.54) PIM1ADAM17SMN1; SMN2KDM4EALDH1A1
SCHEMBL18313582 0.77 ALDH1A1 (0.47) PIM1PIM2LMNAHPGDSMN1; SMN2
SCHEMBL9260289 0.77 LMNA (0.42) PIM1LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL8310947 0.77 TAS1R3 (0.59) HPGDKDM4EALDH1A1FLT3HDAC6
SCHEMBL9263275 0.76 NPC1 (0.48) PIM1PIM2ADAM17CYP26B1CYP26A1

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
US-5432195-A Anticholesterol NIPPON SHINYAKU COMPANY LIMITED (JP) 1995-07-11 US claimed
US-5432195-A Anticholesterol NIPPON SHINYAKU COMPANY LIMITED (JP) 1995-07-11 US disclosed
EP-0601181-A1 BENZOFURAN DERIVATIVE AND PHARMACEUTICAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1994-06-15 EP disclosed