SCHEMBL14733974

SCHEMBL14733974

CCc1cc2ccccc2cc1CCCCO

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
ATM Q13315 1/20 0.37
SLC2A1 P11166 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
BCHE P06276 2/20 0.36
PIK3CG P48736 1/20 0.35
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL9026453 0.80 CYP4F2 (0.49) CYP4F2CYP4A11LIPG
SCHEMBL7542307 0.79 CYP2A6 (0.54) TLR8KDM4EALDH1A1MAPTCYP1A2
SCHEMBL3827720 0.79 LIPG (0.48) CYP4F2CYP4A11LIPG
SCHEMBL24336330 0.78 ATM (0.50) TLR8KDM4EALDH1A1MAPTCYP1A2
SCHEMBL28046693 0.78 TLR8 (0.61) TLR8MAPTLIPG
SCHEMBL14733918 0.77 SLC2A1 (0.57) KDM4EALDH1A1SLC2A1
SCHEMBL14733919 0.77 BCHE (0.42) TLR8KDM4EMAPTLIPGBCHE
SCHEMBL11227235 0.76 TLR8 (0.59) TLR8MAPTLIPG
SCHEMBL11229645 0.76 TLR8 (0.59) TLR8MAPTLIPG
SCHEMBL14733857 0.76 SLC2A1 (0.56) KDM4EALDH1A1SLC2A1

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
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed