SCHEMBL13938809

SCHEMBL13938809

CC1(c2ccc(Br)cc2)CCC(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.48
ALDH1A1 P00352 3/20 0.38
MALT1 Q9UDY8 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 1/20 0.34
UTS2R Q9UKP6 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6239764 0.81 HSD11B1 (0.57) HSD11B1ALDH1A1POLBMAPK1GFER
SCHEMBL3994121 0.80 HSD11B1 (0.53) HSD11B1ALDH1A1MALT1UTS2R
SCHEMBL7172429 0.72 LMNA (0.48) ALDH1A1MALT1LMNAL3MBTL1POLB
SCHEMBL7172425 0.72 LMNA (0.48) ALDH1A1MALT1LMNAL3MBTL1POLB
SCHEMBL31601117 0.71 TAAR1 (0.41) HSD11B1ALDH1A1TAAR1L3MBTL1
SCHEMBL14142801 0.70 TAAR1 (0.47) HSD11B1ALDH1A1TAAR1LMNAL3MBTL1
SCHEMBL3209284 0.70 TAAR1 (0.47) HSD11B1ALDH1A1TAAR1LMNAL3MBTL1
SCHEMBL27805306 0.70 TAAR1 (0.47) HSD11B1ALDH1A1TAAR1LMNAL3MBTL1
SCHEMBL6288740 0.69 ALDH1A1 (0.38) ALDH1A1MALT1POLBMAPK1GFER
SCHEMBL8114661 0.66 HSD11B1 (0.36) HSD11B1ALDH1A1TAAR1LMNAL3MBTL1

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-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed