SCHEMBL6206488

SCHEMBL6206488

COC(=C(Oc1ccc(C)cc1)C(=O)O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
ELANE P08246 2/20 0.44
MAPK14 Q16539 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.42
BCHE P06276 1/20 0.41
USP2 O75604 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6206060 0.90 TSHR (0.47) KMT2ANPC1RAB9ACES2CES1
SCHEMBL9296117 0.89 CES2 (0.54) KMT2ANPC1RAB9AMEN1CES2
SCHEMBL6206484 0.88 LMNA (0.45) LMNAPOLBKMT2ANPC1RAB9A
SCHEMBL457034 0.79 TSHR (0.54) LMNAPOLBKMT2ANPC1RAB9A
SCHEMBL27876289 0.78 TSHR (0.52) LMNAPOLBKMT2ANPC1RAB9A
SCHEMBL27892981 0.78 TSHR (0.52) LMNAPOLBKMT2ANPC1RAB9A
SCHEMBL6206058 0.77 TSHR (0.47) KMT2ANPC1RAB9ACES2CES1
SCHEMBL6207375 0.77 TSHR (0.47) KMT2ANPC1RAB9ACES2CES1
SCHEMBL28518224 0.76 CES2 (0.50) LMNAPOLBKMT2ANPC1RAB9A
SCHEMBL28513067 0.76 CES2 (0.50) LMNAPOLBKMT2ANPC1RAB9A

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
EP-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 WO disclosed