SCHEMBL8976180

SCHEMBL8976180

CC(C)(C)c1ccccc1OC(=O)C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.55
ATM Q13315 1/20 0.55
BCHE P06276 1/20 0.49
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
NAMPT P43490 1/20 0.41
RBP4 P02753 4/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.39
ELANE P08246 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL34006 0.84 TDP1 (0.58) TDP1ATMBCHEKDM4EALDH1A1
SCHEMBL30438185 0.84 TDP1 (0.58) TDP1ATMBCHEKDM4EALDH1A1
SCHEMBL10627807 0.81 TDP1 (0.55) TDP1ATMBCHEKDM4EALDH1A1
SCHEMBL30134334 0.81 TDP1 (0.62) TDP1ATMBCHEKDM4EALDH1A1
SCHEMBL27853484 0.81 TDP1 (0.72) TDP1ATMBCHEKDM4EALDH1A1
SCHEMBL47807 0.81 TDP1 (0.62) TDP1ATMBCHEKDM4EALDH1A1
SCHEMBL47808 0.79 TDP1 (0.65) TDP1ATMBCHEKDM4EALDH1A1
SCHEMBL1789658 0.79 TDP1 (0.60) TDP1ATMBCHEKDM4EALDH1A1
SCHEMBL31304747 0.79 TDP1 (0.65) TDP1ATMBCHEKDM4EALDH1A1
SCHEMBL6403938 0.79 TDP1 (0.60) TDP1ATMBCHEKDM4EALDH1A1

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-5489647-A ABSORBERS FOR WATER AND AQUEOUS SOLUTIONS CASSELLA AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed
US-5011892-A Polyether and addition polymer CASSELLA AG (DE) 1991-04-30 US disclosed