SCHEMBL4256475

SCHEMBL4256475

[CH2]C1(C)Cc2ccccc2C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 3/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.46
RAB9A P51151 1/20 0.46
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
UTS2R Q9UKP6 3/20 0.42

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
SCHEMBL1110064 0.81 POLB (0.54) POLBL3MBTL1LMNATP53MAPT
SCHEMBL14919416 0.78 POLB (0.51) POLBL3MBTL1LMNATP53MAPT
SCHEMBL28668767 0.75 POLB (0.52) POLBL3MBTL1LMNATP53MAPT
SCHEMBL3971910 0.74 POLB (0.51) POLBL3MBTL1LMNATP53MAPT
SCHEMBL20787377 0.73 NPSR1 (0.47) POLBL3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL16503885 0.73 POLB (0.47) POLBL3MBTL1LMNATP53MAPT
SCHEMBL28929688 0.71 MAPT (0.56) POLBL3MBTL1LMNATP53MAPT
SCHEMBL28670431 0.70 CFTR (0.50) POLBL3MBTL1LMNATP53MAPT
SCHEMBL28677624 0.70 UTS2R (0.57) POLBL3MBTL1LMNATP53MAPT
SCHEMBL12836261 0.69 ADRA1D (0.58) POLBL3MBTL1LMNATP53MAPT

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
WO-2009052191-A1 INTERNALLY MASKED NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-04-23 WO disclosed